N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide

C16H18N2OS — CID 71528436

IUPACN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESCN(C(=O)C1CCCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N2OS/c1-18(15(19)13-9-5-6-10-13)16-17-14(11-20-16)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyPNPFGWRAVRGJTA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.96
Rot. Bonds3

About N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide

N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (PubChem CID 71528436) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
PubChem CID71528436
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
SMILESCN(C(=O)C1CCCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N2OS/c1-18(15(19)13-9-5-6-10-13)16-17-14(11-20-16)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyPNPFGWRAVRGJTA-UHFFFAOYSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide (CID 71528436) is N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide is CN(C(=O)C1CCCC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is PNPFGWRAVRGJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-18(15(19)13-9-5-6-10-13)16-17-14(11-20-16)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide?
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 71528436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).