N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide

C17H19N3O2S — CID 75506058

IUPACN-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2scnc2C2CCCC2)c1
InChIInChI=1S/C17H19N3O2S/c18-16(21)13-7-3-4-11(8-13)9-19-17(22)15-14(20-10-23-15)12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H2,18,21)(H,19,22)
InChIKeyFHDBPTFLXSJVIT-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.83
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide

N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide (PubChem CID 75506058) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide
PubChem CID75506058
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2scnc2C2CCCC2)c1
InChIInChI=1S/C17H19N3O2S/c18-16(21)13-7-3-4-11(8-13)9-19-17(22)15-14(20-10-23-15)12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H2,18,21)(H,19,22)
InChIKeyFHDBPTFLXSJVIT-UHFFFAOYSA-N
XLogP2.83
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 33097528
4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126777534
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
4-cyclopentyl-N-(2-ethoxy-2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 126773080
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide (CID 75506058) is N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide is NC(=O)c1cccc(CNC(=O)c2scnc2C2CCCC2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The InChIKey is FHDBPTFLXSJVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c18-16(21)13-7-3-4-11(8-13)9-19-17(22)15-14(20-10-23-15)12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H2,18,21)(H,19,22).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide?
N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75506058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).