4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide

C18H22N2OS — CID 139790851

IUPAC4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide
SMILESCCc1nc(C2CCCC2)c(-c2ccc(C(=O)NC)cc2)s1
InChIInChI=1S/C18H22N2OS/c1-3-15-20-16(12-6-4-5-7-12)17(22-15)13-8-10-14(11-9-13)18(21)19-2/h8-12H,3-7H2,1-2H3,(H,19,21)
InChIKeySOZNKDSWWLSDCT-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.39
Rot. Bonds4

About 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide

4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide (PubChem CID 139790851) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide
PubChem CID139790851
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide
SMILESCCc1nc(C2CCCC2)c(-c2ccc(C(=O)NC)cc2)s1
InChIInChI=1S/C18H22N2OS/c1-3-15-20-16(12-6-4-5-7-12)17(22-15)13-8-10-14(11-9-13)18(21)19-2/h8-12H,3-7H2,1-2H3,(H,19,21)
InChIKeySOZNKDSWWLSDCT-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide?
The IUPAC name of 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide (CID 139790851) is 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide?
The canonical SMILES for 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide is CCc1nc(C2CCCC2)c(-c2ccc(C(=O)NC)cc2)s1.
What is the InChIKey of 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide?
The InChIKey is SOZNKDSWWLSDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-3-15-20-16(12-6-4-5-7-12)17(22-15)13-8-10-14(11-9-13)18(21)19-2/h8-12H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide?
4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide has a molecular weight of 314.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)-N-methylbenzamide is sourced from PubChem (CID 139790851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).