2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide

C21H24N4OS — CID 39742220

IUPAC2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide
SMILESCc1ccc(-c2csc(-n3c(NC(=O)CC4CCCC4)cnc3C)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-14-7-9-17(10-8-14)18-13-27-21(23-18)25-15(2)22-12-19(25)24-20(26)11-16-5-3-4-6-16/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,24,26)
InChIKeyDWCZUNLARYHNKA-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.13
Rot. Bonds5

About 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide

2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide (PubChem CID 39742220) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide
PubChem CID39742220
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide
SMILESCc1ccc(-c2csc(-n3c(NC(=O)CC4CCCC4)cnc3C)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-14-7-9-17(10-8-14)18-13-27-21(23-18)25-15(2)22-12-19(25)24-20(26)11-16-5-3-4-6-16/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,24,26)
InChIKeyDWCZUNLARYHNKA-UHFFFAOYSA-N
XLogP5.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide (CID 39742220) is 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide is Cc1ccc(-c2csc(-n3c(NC(=O)CC4CCCC4)cnc3C)n2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide?
The InChIKey is DWCZUNLARYHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14-7-9-17(10-8-14)18-13-27-21(23-18)25-15(2)22-12-19(25)24-20(26)11-16-5-3-4-6-16/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,24,26).
What are the key properties of 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide?
2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide is sourced from PubChem (CID 39742220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).