N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

C16H16ClN3O2S — CID 53158387

IUPACN-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C16H16ClN3O2S/c17-12-5-3-4-11(8-12)9-18-14(21)13-10-23-15(19-13)16(22)20-6-1-2-7-20/h3-5,8,10H,1-2,6-7,9H2,(H,18,21)
InChIKeyMVVPWVTVPCZCGR-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.96
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (PubChem CID 53158387) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
PubChem CID53158387
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C16H16ClN3O2S/c17-12-5-3-4-11(8-12)9-18-14(21)13-10-23-15(19-13)16(22)20-6-1-2-7-20/h3-5,8,10H,1-2,6-7,9H2,(H,18,21)
InChIKeyMVVPWVTVPCZCGR-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158382
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158390
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
CID 50830718
2-(2-aminoethyl)-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120624899
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 50830719
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55710038
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (CID 53158387) is N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(Cl)c1)c1csc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MVVPWVTVPCZCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-12-5-3-4-11(8-12)9-18-14(21)13-10-23-15(19-13)16(22)20-6-1-2-7-20/h3-5,8,10H,1-2,6-7,9H2,(H,18,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53158387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).