2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C20H22N4OS — CID 174545041

IUPAC2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCn1cnc(-c2sc(NC(=O)CC3CCCC3)nc2-c2ccccc2)c1
InChIInChI=1S/C20H22N4OS/c1-24-12-16(21-13-24)19-18(15-9-3-2-4-10-15)23-20(26-19)22-17(25)11-14-7-5-6-8-14/h2-4,9-10,12-14H,5-8,11H2,1H3,(H,22,23,25)
InChIKeyZIJCFNFYAWZIQH-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.73
Rot. Bonds5

About 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 174545041) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID174545041
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCn1cnc(-c2sc(NC(=O)CC3CCCC3)nc2-c2ccccc2)c1
InChIInChI=1S/C20H22N4OS/c1-24-12-16(21-13-24)19-18(15-9-3-2-4-10-15)23-20(26-19)22-17(25)11-14-7-5-6-8-14/h2-4,9-10,12-14H,5-8,11H2,1H3,(H,22,23,25)
InChIKeyZIJCFNFYAWZIQH-UHFFFAOYSA-N
XLogP4.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 174545041) is 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is Cn1cnc(-c2sc(NC(=O)CC3CCCC3)nc2-c2ccccc2)c1.
What is the InChIKey of 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZIJCFNFYAWZIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24-12-16(21-13-24)19-18(15-9-3-2-4-10-15)23-20(26-19)22-17(25)11-14-7-5-6-8-14/h2-4,9-10,12-14H,5-8,11H2,1H3,(H,22,23,25).
What are the key properties of 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 174545041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).