[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

C15H13ClN4OS2 — CID 139004678

IUPAC[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H13ClN4OS2/c16-13-3-2-12(23-13)14-18-11(9-22-14)15(21)19-7-4-10(8-19)20-6-1-5-17-20/h1-3,5-6,9-10H,4,7-8H2
InChIKeyAEWBZNQDHLQLAI-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.81
Rot. Bonds3

About [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (PubChem CID 139004678) has the molecular formula C15H13ClN4OS2 and a molecular weight of 364.88 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
PubChem CID139004678
Molecular FormulaC15H13ClN4OS2
Molecular Weight364.88 g/mol
Exact Mass364.02
IUPAC Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H13ClN4OS2/c16-13-3-2-12(23-13)14-18-11(9-22-14)15(21)19-7-4-10(8-19)20-6-1-5-17-20/h1-3,5-6,9-10H,4,7-8H2
InChIKeyAEWBZNQDHLQLAI-UHFFFAOYSA-N
XLogP3.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126768311
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520747
[(3R)-3-aminopyrrolidin-1-yl]-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412335
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256568
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 124691936
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 100722964
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone
CID 166372681
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
tert-butyl (3S)-3-pyrazol-1-ylpyrrolidine-1-carboxylate
CID 96536772
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375290

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (CID 139004678) is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC(n2cccn2)C1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is AEWBZNQDHLQLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS2/c16-13-3-2-12(23-13)14-18-11(9-22-14)15(21)19-7-4-10(8-19)20-6-1-5-17-20/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 364.88 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 139004678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).