2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine

C59H72F2N16O3S6 — CID 159493839

IUPAC2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCCCOc1cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)ccc1F.CCCOc1cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)ccn1.CCCOc1cc(F)cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)c1
InChIInChI=1S/2C20H24FN5OS2.C19H24N6OS2/c1-3-5-16-14(11-28-20-25-17(22)10-18(23)26-20)24-19(29-16)12-6-7-13(21)15(9-12)27-8-4-2;1-3-5-16-15(11-28-20-25-17(22)10-18(23)26-20)24-19(29-16)12-7-13(21)9-14(8-12)27-6-4-2;1-3-5-14-13(11-27-19-24-15(20)10-16(21)25-19)23-18(28-14)12-6-7-22-17(9-12)26-8-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H4,22,23,25,26);7-10H,3-6,11H2,1-2H3,(H4,22,23,25,26);6-7,9-10H,3-5,8,11H2,1-2H3,(H4,20,21,24,25)
InChIKeyLYNLIVQAEBCERV-UHFFFAOYSA-N
MW1283.73 g/mol
LogP14.07
Rot. Bonds27

About 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine

2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 159493839) has the molecular formula C59H72F2N16O3S6 and a molecular weight of 1283.73 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID159493839
Molecular FormulaC59H72F2N16O3S6
Molecular Weight1283.73 g/mol
Exact Mass1282.43
IUPAC Name2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCCCOc1cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)ccc1F.CCCOc1cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)ccn1.CCCOc1cc(F)cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)c1
InChIInChI=1S/2C20H24FN5OS2.C19H24N6OS2/c1-3-5-16-14(11-28-20-25-17(22)10-18(23)26-20)24-19(29-16)12-6-7-13(21)15(9-12)27-8-4-2;1-3-5-16-15(11-28-20-25-17(22)10-18(23)26-20)24-19(29-16)12-7-13(21)9-14(8-12)27-6-4-2;1-3-5-14-13(11-27-19-24-15(20)10-16(21)25-19)23-18(28-14)12-6-7-22-17(9-12)26-8-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H4,22,23,25,26);7-10H,3-6,11H2,1-2H3,(H4,22,23,25,26);6-7,9-10H,3-5,8,11H2,1-2H3,(H4,20,21,24,25)
InChIKeyLYNLIVQAEBCERV-UHFFFAOYSA-N
XLogP14.07
TPSA312.71 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001283.73
LogP ≤ 514.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[4-(3-methoxyphenyl)-2-propyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 58377175
4-[2-(fluoromethyl)-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine
CID 58377206
4-[4-(2-fluoro-3-methoxyphenyl)-2-propyl-1,3-thiazol-5-yl]-N-[3-fluoro-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]oxyphenyl]pyrimidin-2-amine
CID 58377248
2-[4-[4-[[4-[2-[Cyclopropylmethyl(methyl)amino]-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-2-fluorophenoxy]piperidin-1-yl]ethanethiol
CID 88911150
2-[4-[2-Fluoro-4-[[4-[4-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanethiol
CID 88911181
4-(2,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89348055
4-(2,3-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89348056
4-(2,5-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89348059
4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
CID 89348060
2-[[2-[2-(2-Fluoroethoxy)-4-pyridinyl]-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 126699918
N-ethyl-5-[2-[3-fluoro-4-[1-(2-methylsulfanylethyl)piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 143774936
4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;2-[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol;2-[4-methyl-2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-5-yl]ethanol;2-[4-methyl-2-[2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]ethanol
CID 157718863

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine (CID 159493839) is 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine is CCCOc1cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)ccc1F.CCCOc1cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)ccn1.CCCOc1cc(F)cc(-c2nc(CSc3nc(N)cc(N)n3)c(CCC)s2)c1.
What is the InChIKey of 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is LYNLIVQAEBCERV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H24FN5OS2.C19H24N6OS2/c1-3-5-16-14(11-28-20-25-17(22)10-18(23)26-20)24-19(29-16)12-6-7-13(21)15(9-12)27-8-4-2;1-3-5-16-15(11-28-20-25-17(22)10-18(23)26-20)24-19(29-16)12-7-13(21)9-14(8-12)27-6-4-2;1-3-5-14-13(11-27-19-24-15(20)10-16(21)25-19)23-18(28-14)12-6-7-22-17(9-12)26-8-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H4,22,23,25,26);7-10H,3-6,11H2,1-2H3,(H4,22,23,25,26);6-7,9-10H,3-5,8,11H2,1-2H3,(H4,20,21,24,25).
What are the key properties of 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine?
2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 1283.73 g/mol, XLogP of 14.07, 27 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-5-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(4-fluoro-3-propoxyphenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-(2-propoxy-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 159493839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).