1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

C13H21N3OS — CID 136536027

IUPAC1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(=O)NC2(C)CCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)10-8-14-12(18-10)15-11(17)16-13(3)6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyXWSFXTHRKSYDNX-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.72
Rot. Bonds3

About 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 136536027) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID136536027
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(=O)NC2(C)CCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)10-8-14-12(18-10)15-11(17)16-13(3)6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyXWSFXTHRKSYDNX-UHFFFAOYSA-N
XLogP3.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 136536027) is 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is CC(C)c1cnc(NC(=O)NC2(C)CCCC2)s1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is XWSFXTHRKSYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)10-8-14-12(18-10)15-11(17)16-13(3)6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 267.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 136536027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).