N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C21H22N2OS2 — CID 38139186

IUPACN-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H22N2OS2/c24-19(13-17-14-26-20(23-17)18-9-6-12-25-18)22-15-21(10-4-5-11-21)16-7-2-1-3-8-16/h1-3,6-9,12,14H,4-5,10-11,13,15H2,(H,22,24)
InChIKeyUZGMOSQWXYPTHQ-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.04
Rot. Bonds6

About N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 38139186) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID38139186
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC NameN-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H22N2OS2/c24-19(13-17-14-26-20(23-17)18-9-6-12-25-18)22-15-21(10-4-5-11-21)16-7-2-1-3-8-16/h1-3,6-9,12,14H,4-5,10-11,13,15H2,(H,22,24)
InChIKeyUZGMOSQWXYPTHQ-UHFFFAOYSA-N
XLogP5.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 38139186) is N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UZGMOSQWXYPTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c24-19(13-17-14-26-20(23-17)18-9-6-12-25-18)22-15-21(10-4-5-11-21)16-7-2-1-3-8-16/h1-3,6-9,12,14H,4-5,10-11,13,15H2,(H,22,24).
What are the key properties of N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 382.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 38139186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).