2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide

C20H19ClN4O2S — CID 16948802

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCCCc2ccccc2)cs1
InChIInChI=1S/C20H19ClN4O2S/c21-15-9-4-10-16(12-15)23-19(27)25-20-24-17(13-28-20)18(26)22-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12-13H,5,8,11H2,(H,22,26)(H2,23,24,25,27)
InChIKeyQRIPSRSWKHNZEE-UHFFFAOYSA-N
MW414.92 g/mol
LogP4.80
Rot. Bonds7

About 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide

2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 16948802) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID16948802
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCCCc2ccccc2)cs1
InChIInChI=1S/C20H19ClN4O2S/c21-15-9-4-10-16(12-15)23-19(27)25-20-24-17(13-28-20)18(26)22-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12-13H,5,8,11H2,(H,22,26)(H2,23,24,25,27)
InChIKeyQRIPSRSWKHNZEE-UHFFFAOYSA-N
XLogP4.80
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948332
2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16948876
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
2-N-(3-chlorophenyl)-5-N-(3-phenylpropyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353792
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(3-chloro-2-methylphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948852
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
2-(4-chloroanilino)-N-[5-[(3-chlorophenyl)methylamino]pentyl]-1,3-thiazole-4-carboxamide
CID 86574827
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide (CID 16948802) is 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCCCc2ccccc2)cs1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QRIPSRSWKHNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c21-15-9-4-10-16(12-15)23-19(27)25-20-24-17(13-28-20)18(26)22-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12-13H,5,8,11H2,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide?
2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).