1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

C15H16N8OS — CID 58441028

IUPAC1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(-n3ccnc3)ncn1)CC2
InChIInChI=1S/C15H16N8OS/c1-16-14(24)21-15-20-10-2-4-22(7-11(10)25-15)12-6-13(19-8-18-12)23-5-3-17-9-23/h3,5-6,8-9H,2,4,7H2,1H3,(H2,16,20,21,24)
InChIKeyFPSMQYDLVUOXSH-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.43
Rot. Bonds3

About 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (PubChem CID 58441028) has the molecular formula C15H16N8OS and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
PubChem CID58441028
Molecular FormulaC15H16N8OS
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(-n3ccnc3)ncn1)CC2
InChIInChI=1S/C15H16N8OS/c1-16-14(24)21-15-20-10-2-4-22(7-11(10)25-15)12-6-13(19-8-18-12)23-5-3-17-9-23/h3,5-6,8-9H,2,4,7H2,1H3,(H2,16,20,21,24)
InChIKeyFPSMQYDLVUOXSH-UHFFFAOYSA-N
XLogP1.43
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 88932103
2-chloro-N-(2-hydroxyethyl)-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
CID 58441138
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 119100949
1-(5-tert-butylphosphanylcarbonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methylurea
CID 88932094
N-[5-(6-methoxypyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872178
1-cyclohexyl-3-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 58440875
1-[5-(aminocarbamothioyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 154659697
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-methoxyphenyl)urea
CID 58440883
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
1-(2-acetylphenyl)-3-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 87159321
3-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide
CID 87159095

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The IUPAC name of 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (CID 58441028) is 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The canonical SMILES for 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is CNC(=O)Nc1nc2c(s1)CN(c1cc(-n3ccnc3)ncn1)CC2.
What is the InChIKey of 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The InChIKey is FPSMQYDLVUOXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8OS/c1-16-14(24)21-15-20-10-2-4-22(7-11(10)25-15)12-6-13(19-8-18-12)23-5-3-17-9-23/h3,5-6,8-9H,2,4,7H2,1H3,(H2,16,20,21,24).
What are the key properties of 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea has a molecular weight of 356.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is sourced from PubChem (CID 58441028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).