4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide

C21H21N5O2S2 — CID 42172378

IUPAC4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(SCC(=O)N2CCCC2)nn1
InChIInChI=1S/C21H21N5O2S2/c1-14-19(30-21(22-14)15-7-3-2-4-8-15)20(28)23-16-9-10-17(25-24-16)29-13-18(27)26-11-5-6-12-26/h2-4,7-10H,5-6,11-13H2,1H3,(H,23,24,28)
InChIKeyWWXSJDVMCAAFLH-UHFFFAOYSA-N
MW439.57 g/mol
LogP3.88
Rot. Bonds6

About 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 42172378) has the molecular formula C21H21N5O2S2 and a molecular weight of 439.57 g/mol. Its IUPAC name is 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID42172378
Molecular FormulaC21H21N5O2S2
Molecular Weight439.57 g/mol
Exact Mass439.11
IUPAC Name4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(SCC(=O)N2CCCC2)nn1
InChIInChI=1S/C21H21N5O2S2/c1-14-19(30-21(22-14)15-7-3-2-4-8-15)20(28)23-16-9-10-17(25-24-16)29-13-18(27)26-11-5-6-12-26/h2-4,7-10H,5-6,11-13H2,1H3,(H,23,24,28)
InChIKeyWWXSJDVMCAAFLH-UHFFFAOYSA-N
XLogP3.88
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-Methyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049646
1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135416948
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339
3-methyl-1-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135532946
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155550023
1-[2-(4-Benzyl-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]-2-ethylpiperidine
CID 16015274
3-fluoro-N-(6-((2-((4-methylthiazol-2-yl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138424
2-fluoro-N-(6-((2-((4-methylthiazol-2-yl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42139096
N-(6-((4-fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole-5-carboxamide
CID 42172364
4-fluoro-N-(6-((4-((4-methylthiazol-2-yl)amino)-4-oxobutyl)thio)pyridazin-3-yl)benzamide
CID 42173992
N-(2-(5-(2-fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2,4-dimethylthiazole-5-carboxamide
CID 44040556
2-[acetyl(benzyl)amino]-4-methyl-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-thiazole-5-carboxamide
CID 51043963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 42172378) is 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(SCC(=O)N2CCCC2)nn1.
What is the InChIKey of 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WWXSJDVMCAAFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S2/c1-14-19(30-21(22-14)15-7-3-2-4-8-15)20(28)23-16-9-10-17(25-24-16)29-13-18(27)26-11-5-6-12-26/h2-4,7-10H,5-6,11-13H2,1H3,(H,23,24,28).
What are the key properties of 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 439.57 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridazin-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42172378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).