1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea

C16H19N3OS — CID 150356043

IUPAC1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1nccs1)C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(18-13-6-2-1-3-7-13)19(14-8-4-5-9-14)12-15-17-10-11-21-15/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,18,20)
InChIKeyGUSSTQWQXYDDML-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.12
Rot. Bonds4

About 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea

1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 150356043) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID150356043
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(Cc1nccs1)C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(18-13-6-2-1-3-7-13)19(14-8-4-5-9-14)12-15-17-10-11-21-15/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,18,20)
InChIKeyGUSSTQWQXYDDML-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 110747649
N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 158834559
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
1-cyclopropyl-3-(2-methyl-1,3-benzothiazol-5-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 72864955
3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
CID 150027753
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715860
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
CID 110715870
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea (CID 150356043) is 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea is O=C(Nc1ccccc1)N(Cc1nccs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is GUSSTQWQXYDDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(18-13-6-2-1-3-7-13)19(14-8-4-5-9-14)12-15-17-10-11-21-15/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,18,20).
What are the key properties of 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea?
1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 301.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 150356043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).