2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C62H43ClN22OS4 — CID 159389444

IUPAC2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.Clc1ccc2oc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)nc2c1.Cn1c(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc2ccccc21
InChIInChI=1S/C21H16N8S.C21H15N7S2.C20H12ClN7OS/c1-29-17-5-3-2-4-15(17)25-21(29)27-20-24-16-8-9-30-18(16)19(26-20)23-13-6-7-14-12(10-13)11-22-28-14;1-11-2-4-15-17(8-11)30-21(25-15)27-20-24-16-6-7-29-18(16)19(26-20)23-13-3-5-14-12(9-13)10-22-28-14;21-11-1-4-16-15(8-11)25-20(29-16)27-19-24-14-5-6-30-17(14)18(26-19)23-12-2-3-13-10(7-12)9-22-28-13/h2-11H,1H3,(H,22,28)(H2,23,24,25,26,27);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27);1-9H,(H,22,28)(H2,23,24,25,26,27)
InChIKeyLLXRIKOZZFFBEI-UHFFFAOYSA-N
MW1275.90 g/mol
LogP16.76
Rot. Bonds12

About 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 159389444) has the molecular formula C62H43ClN22OS4 and a molecular weight of 1275.90 g/mol. Its IUPAC name is 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID159389444
Molecular FormulaC62H43ClN22OS4
Molecular Weight1275.90 g/mol
Exact Mass1274.26
IUPAC Name2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.Clc1ccc2oc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)nc2c1.Cn1c(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc2ccccc21
InChIInChI=1S/C21H16N8S.C21H15N7S2.C20H12ClN7OS/c1-29-17-5-3-2-4-15(17)25-21(29)27-20-24-16-8-9-30-18(16)19(26-20)23-13-6-7-14-12(10-13)11-22-28-14;1-11-2-4-15-17(8-11)30-21(25-15)27-20-24-16-6-7-29-18(16)19(26-20)23-13-3-5-14-12(9-13)10-22-28-14;21-11-1-4-16-15(8-11)25-20(29-16)27-19-24-14-5-6-30-17(14)18(26-19)23-12-2-3-13-10(7-12)9-22-28-13/h2-11H,1H3,(H,22,28)(H2,23,24,25,26,27);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27);1-9H,(H,22,28)(H2,23,24,25,26,27)
InChIKeyLLXRIKOZZFFBEI-UHFFFAOYSA-N
XLogP16.76
TPSA292.30 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001275.90
LogP ≤ 516.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10194849
4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
CID 157264548
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline
CID 157450097
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxy-6-phenylpyrimidin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 158109209
ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole
CID 158436560
4-methyl-2-propan-2-yl-1,3-benzothiazole;bis(7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine);7-methyl-4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;bis(4-propan-2-yl-7H-cyclopenta[d]pyrimidine);4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine)
CID 158623807
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158671324
1,3-benzothiazole;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole
CID 158724885
bis(tert-butylbenzene);bis(6-tert-butyl-1H-benzimidazole);5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 159004994
tert-butylbenzene;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;4-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;6-tert-butyl-3H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 159113668
2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen
CID 159210875
5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one
CID 159398713

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 159389444) is 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.Clc1ccc2oc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)nc2c1.Cn1c(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc2ccccc21.
What is the InChIKey of 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is LLXRIKOZZFFBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8S.C21H15N7S2.C20H12ClN7OS/c1-29-17-5-3-2-4-15(17)25-21(29)27-20-24-16-8-9-30-18(16)19(26-20)23-13-6-7-14-12(10-13)11-22-28-14;1-11-2-4-15-17(8-11)30-21(25-15)27-20-24-16-6-7-29-18(16)19(26-20)23-13-3-5-14-12(9-13)10-22-28-14;21-11-1-4-16-15(8-11)25-20(29-16)27-19-24-14-5-6-30-17(14)18(26-19)23-12-2-3-13-10(7-12)9-22-28-13/h2-11H,1H3,(H,22,28)(H2,23,24,25,26,27);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27);1-9H,(H,22,28)(H2,23,24,25,26,27).
What are the key properties of 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1275.90 g/mol, XLogP of 16.76, 12 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1-methylbenzimidazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159389444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).