2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C16H18N6S2 — CID 154853618

IUPAC2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCSc1nc(C)cc(N2CCN(c3nc4cnccc4s3)CC2)n1
InChIInChI=1S/C16H18N6S2/c1-11-9-14(20-15(18-11)23-2)21-5-7-22(8-6-21)16-19-12-10-17-4-3-13(12)24-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHDZLEIGCLMZBNU-UHFFFAOYSA-N
MW358.50 g/mol
LogP2.84
Rot. Bonds3

About 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 154853618) has the molecular formula C16H18N6S2 and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID154853618
Molecular FormulaC16H18N6S2
Molecular Weight358.50 g/mol
Exact Mass358.10
IUPAC Name2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCSc1nc(C)cc(N2CCN(c3nc4cnccc4s3)CC2)n1
InChIInChI=1S/C16H18N6S2/c1-11-9-14(20-15(18-11)23-2)21-5-7-22(8-6-21)16-19-12-10-17-4-3-13(12)24-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHDZLEIGCLMZBNU-UHFFFAOYSA-N
XLogP2.84
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154853620
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154882869
2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 163357343
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 171702430
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166601649
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 171326447
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 155800473
2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172902834
4-[4-[6-(difluoromethyl)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 155798953
N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172900479
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 86884571

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 154853618) is 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is CSc1nc(C)cc(N2CCN(c3nc4cnccc4s3)CC2)n1.
What is the InChIKey of 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is HDZLEIGCLMZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S2/c1-11-9-14(20-15(18-11)23-2)21-5-7-22(8-6-21)16-19-12-10-17-4-3-13(12)24-16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 358.50 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 154853618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).