1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C12H19N3OS — CID 38206674

IUPAC1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC2CCCC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-14-11(8-17-9)6-7-13-12(16)15-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,13,15,16)
InChIKeyGLINLJCNGHBZIZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.24
Rot. Bonds4

About 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 38206674) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID38206674
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC2CCCC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-14-11(8-17-9)6-7-13-12(16)15-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,13,15,16)
InChIKeyGLINLJCNGHBZIZ-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 38206674) is 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NC2CCCC2)cs1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is GLINLJCNGHBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-14-11(8-17-9)6-7-13-12(16)15-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,13,15,16).
What are the key properties of 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 253.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 38206674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).