2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide

C17H19ClN4O2S — CID 18567614

IUPAC2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NC1CCCC1
InChIInChI=1S/C17H19ClN4O2S/c18-11-4-3-7-13(8-11)20-16(24)22-17-21-14(10-25-17)9-15(23)19-12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,19,23)(H2,20,21,22,24)
InChIKeyQGFMTIUEGGCMFE-UHFFFAOYSA-N
MW378.89 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide (PubChem CID 18567614) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide
PubChem CID18567614
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NC1CCCC1
InChIInChI=1S/C17H19ClN4O2S/c18-11-4-3-7-13(8-11)20-16(24)22-17-21-14(10-25-17)9-15(23)19-12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,19,23)(H2,20,21,22,24)
InChIKeyQGFMTIUEGGCMFE-UHFFFAOYSA-N
XLogP4.04
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide (CID 18567614) is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide is O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NC1CCCC1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide?
The InChIKey is QGFMTIUEGGCMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c18-11-4-3-7-13(8-11)20-16(24)22-17-21-14(10-25-17)9-15(23)19-12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide?
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide has a molecular weight of 378.89 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 18567614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).