1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea

C16H13ClN8O2S — CID 163499188

IUPAC1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
SMILESCOc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc2sc(C)nc2c1
InChIInChI=1S/C16H13ClN8O2S/c1-8-21-12-5-9(7-18-15(12)28-8)22-16(26)23-11-6-10(17)13(24-14(11)27-2)25-19-3-4-20-25/h3-7H,1-2H3,(H2,22,23,26)
InChIKeyCTGHFTASBZKMGN-UHFFFAOYSA-N
MW416.85 g/mol
LogP3.28
Rot. Bonds4

About 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea

1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea (PubChem CID 163499188) has the molecular formula C16H13ClN8O2S and a molecular weight of 416.85 g/mol. Its IUPAC name is 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
PubChem CID163499188
Molecular FormulaC16H13ClN8O2S
Molecular Weight416.85 g/mol
Exact Mass416.06
IUPAC Name1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
SMILESCOc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc2sc(C)nc2c1
InChIInChI=1S/C16H13ClN8O2S/c1-8-21-12-5-9(7-18-15(12)28-8)22-16(26)23-11-6-10(17)13(24-14(11)27-2)25-19-3-4-20-25/h3-7H,1-2H3,(H2,22,23,26)
InChIKeyCTGHFTASBZKMGN-UHFFFAOYSA-N
XLogP3.28
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-chloro-4-[(S)-fluoro(methoxy)methyl]-6-methyl-3-pyridinyl]-3-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155708253
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(4,4-difluoropiperidin-1-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217590
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-[(dimethylamino)methyl]cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217483
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-methoxy-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea
CID 155202059
1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
CID 159802630
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134209029
1-[5-bromo-4-[(1S)-1-methoxyethyl]-3-pyridinyl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155201990
1-[5-bromo-4-(methoxymethyl)-6-methyl-3-pyridinyl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155708225
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-[7-[methoxy(phenyl)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134209546
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(2-methoxypropan-2-yl)quinolin-3-yl]urea
CID 162655394
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-[1-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217614
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[7-(4-fluoro-2-methoxyphenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134209663

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
The IUPAC name of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea (CID 163499188) is 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea.
What is the SMILES notation for 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
The canonical SMILES for 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea is COc1nc(-n2nccn2)c(Cl)cc1NC(=O)Nc1cnc2sc(C)nc2c1.
What is the InChIKey of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
The InChIKey is CTGHFTASBZKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN8O2S/c1-8-21-12-5-9(7-18-15(12)28-8)22-16(26)23-11-6-10(17)13(24-14(11)27-2)25-19-3-4-20-25/h3-7H,1-2H3,(H2,22,23,26).
What are the key properties of 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea?
1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea has a molecular weight of 416.85 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea is sourced from PubChem (CID 163499188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).