N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide

C18H19N5OS2 — CID 53084424

IUPACN-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCN(c3nc4cccnc4s3)CC2)c1
InChIInChI=1S/C18H19N5OS2/c1-25-14-5-2-4-13(12-14)20-17(24)22-8-10-23(11-9-22)18-21-15-6-3-7-19-16(15)26-18/h2-7,12H,8-11H2,1H3,(H,20,24)
InChIKeyKKUZOWPNHGJJCK-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.77
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide

N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide (PubChem CID 53084424) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
PubChem CID53084424
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC NameN-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCN(c3nc4cccnc4s3)CC2)c1
InChIInChI=1S/C18H19N5OS2/c1-25-14-5-2-4-13(12-14)20-17(24)22-8-10-23(11-9-22)18-21-15-6-3-7-19-16(15)26-18/h2-7,12H,8-11H2,1H3,(H,20,24)
InChIKeyKKUZOWPNHGJJCK-UHFFFAOYSA-N
XLogP3.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]amino]phenyl]acetate
CID 53084404
N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
CID 53084389
ethyl 2-[4-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepane-1-carbonyl]amino]phenyl]acetate
CID 53206037
N-(3-bromophenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
CID 53111755
2-(3,4-difluorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 56535635
N-(2,6-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084515
(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 95110255
4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 53047696
4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 122350283
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
ethyl 3-[[4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanoyl]amino]benzoate
CID 53111698
3-(4-fluorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 56535575

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide (CID 53084424) is N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide is CSc1cccc(NC(=O)N2CCN(c3nc4cccnc4s3)CC2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
The InChIKey is KKUZOWPNHGJJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c1-25-14-5-2-4-13(12-14)20-17(24)22-8-10-23(11-9-22)18-21-15-6-3-7-19-16(15)26-18/h2-7,12H,8-11H2,1H3,(H,20,24).
What are the key properties of N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide?
N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide has a molecular weight of 385.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53084424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).