4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid

C17H18N2O3S — CID 119185190

IUPAC4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid
SMILESCc1csc(C2(NC(=O)c3ccc(C(=O)O)cc3)CCCC2)n1
InChIInChI=1S/C17H18N2O3S/c1-11-10-23-16(18-11)17(8-2-3-9-17)19-14(20)12-4-6-13(7-5-12)15(21)22/h4-7,10H,2-3,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyYORBAIISONOHTQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.35
Rot. Bonds4

About 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid

4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid (PubChem CID 119185190) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid
PubChem CID119185190
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid
SMILESCc1csc(C2(NC(=O)c3ccc(C(=O)O)cc3)CCCC2)n1
InChIInChI=1S/C17H18N2O3S/c1-11-10-23-16(18-11)17(8-2-3-9-17)19-14(20)12-4-6-13(7-5-12)15(21)22/h4-7,10H,2-3,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyYORBAIISONOHTQ-UHFFFAOYSA-N
XLogP3.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid (CID 119185190) is 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid is Cc1csc(C2(NC(=O)c3ccc(C(=O)O)cc3)CCCC2)n1.
What is the InChIKey of 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid?
The InChIKey is YORBAIISONOHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-10-23-16(18-11)17(8-2-3-9-17)19-14(20)12-4-6-13(7-5-12)15(21)22/h4-7,10H,2-3,8-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid?
4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid has a molecular weight of 330.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]benzoic acid is sourced from PubChem (CID 119185190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).