1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide

C16H17ClN2OS — CID 2521715

IUPAC1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
SMILESCc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C16H17ClN2OS/c1-11-10-21-15(18-11)19-14(20)16(8-2-3-9-16)12-4-6-13(17)7-5-12/h4-7,10H,2-3,8-9H2,1H3,(H,18,19,20)
InChIKeySMMPEITXGUZUPK-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.56
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide (PubChem CID 2521715) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
PubChem CID2521715
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
SMILESCc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C16H17ClN2OS/c1-11-10-21-15(18-11)19-14(20)16(8-2-3-9-16)12-4-6-13(17)7-5-12/h4-7,10H,2-3,8-9H2,1H3,(H,18,19,20)
InChIKeySMMPEITXGUZUPK-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide (CID 2521715) is 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide is Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is SMMPEITXGUZUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11-10-21-15(18-11)19-14(20)16(8-2-3-9-16)12-4-6-13(17)7-5-12/h4-7,10H,2-3,8-9H2,1H3,(H,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 320.85 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 2521715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).