1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C11H17N3OS — CID 47194037

IUPAC1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC2CCCC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-11(13-8)14-10(15)12-6-9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyJAXHAWQSGGTCAS-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.76
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47194037) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47194037
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC2CCCC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-11(13-8)14-10(15)12-6-9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyJAXHAWQSGGTCAS-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2679296
1-(2-Adamantyl)-3-(4-methylthiazol-2-yl)urea
CID 71603058
1-(4-Methyl-1,3-thiazol-2-yl)-3-[[3-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 4799100
3-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 879728
N-(4-((methylthio)methyl)thiazol-2-yl)cyclopentanecarboxamide
CID 16849954
N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97137213
N-[(2S)-4-oxo-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]cyclopentanecarboxamide
CID 97557668
N-[4-oxo-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]cyclopentanecarboxamide
CID 72024493
N-[4-[[(1-cyclopentyl-2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75470773
1-Hexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874513
1-Methyl-1-(3-methylcyclohexyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874845
1-(4-Methylpentyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874958

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47194037) is 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NCC2CCCC2)n1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is JAXHAWQSGGTCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-16-11(13-8)14-10(15)12-6-9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 239.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47194037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).