N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

C54H43F2N13O6S3 — CID 163810419

IUPACN-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(OC)c1.Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1
InChIInChI=1S/C18H12F2N4O2S.C18H17N5O2S.C18H14N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;1-11-16(23-8-4-7-19-17(23)20-11)14-10-26-18(22-14)21-13-6-5-12(24-2)9-15(13)25-3;1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14/h2-9H,1H3,(H,22,23);4-10H,1-3H3,(H,21,22);2-9H,10H2,1H3,(H,20,21)/i;;10D2
InChIKeyNMTGCNKQKIPZJW-QJSZJCCRSA-N
MW1106.23 g/mol
LogP12.99
Rot. Bonds11

About N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 163810419) has the molecular formula C54H43F2N13O6S3 and a molecular weight of 1106.23 g/mol. Its IUPAC name is N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID163810419
Molecular FormulaC54H43F2N13O6S3
Molecular Weight1106.23 g/mol
Exact Mass1105.27
IUPAC NameN-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(OC)c1.Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1
InChIInChI=1S/C18H12F2N4O2S.C18H17N5O2S.C18H14N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;1-11-16(23-8-4-7-19-17(23)20-11)14-10-26-18(22-14)21-13-6-5-12(24-2)9-15(13)25-3;1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14/h2-9H,1H3,(H,22,23);4-10H,1-3H3,(H,21,22);2-9H,10H2,1H3,(H,20,21)/i;;10D2
InChIKeyNMTGCNKQKIPZJW-QJSZJCCRSA-N
XLogP12.99
TPSA194.93 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001106.23
LogP ≤ 512.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine
CID 57490480
3-N-(3,4-dimethoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(7-methoxy-1,3-benzodioxol-5-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine;1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine;3-N-(4-morpholin-4-yl-3-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 158637056
N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 163437475
N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 163662589
3-N-(1,3-benzodioxol-5-yl)-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-[4-(diethylamino)phenyl]-1-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-[4-(diethylamino)phenyl]-1-(4-piperidin-1-ylpyrimidin-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(2,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 160055722
5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 167566770
5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;[(2R)-pyrrolidin-2-yl]methanol;[(2R)-1-[7-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 167596392
5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 167596393
2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;[(2R)-pyrrolidin-2-yl]methanol;[(2R)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 167600379

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 163810419) is N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(OC)c1.Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1.
What is the InChIKey of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is NMTGCNKQKIPZJW-QJSZJCCRSA-N. The full InChI is InChI=1S/C18H12F2N4O2S.C18H17N5O2S.C18H14N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;1-11-16(23-8-4-7-19-17(23)20-11)14-10-26-18(22-14)21-13-6-5-12(24-2)9-15(13)25-3;1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14/h2-9H,1H3,(H,22,23);4-10H,1-3H3,(H,21,22);2-9H,10H2,1H3,(H,20,21)/i;;10D2.
What are the key properties of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 1106.23 g/mol, XLogP of 12.99, 11 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,4-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163810419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).