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

C13H17N5OS — CID 71980952

IUPAC1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2CCCC2n2ccnc2)n1
InChIInChI=1S/C13H17N5OS/c1-9-7-20-13(15-9)17-12(19)16-10-3-2-4-11(10)18-6-5-14-8-18/h5-8,10-11H,2-4H2,1H3,(H2,15,16,17,19)
InChIKeySTHJVRNMMQLUDE-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.56
Rot. Bonds3

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

1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 71980952) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID71980952
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2CCCC2n2ccnc2)n1
InChIInChI=1S/C13H17N5OS/c1-9-7-20-13(15-9)17-12(19)16-10-3-2-4-11(10)18-6-5-14-8-18/h5-8,10-11H,2-4H2,1H3,(H2,15,16,17,19)
InChIKeySTHJVRNMMQLUDE-UHFFFAOYSA-N
XLogP2.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 6472023
N-(1-imidazol-1-ylpropan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 53498805
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71990205
1-(1-Imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47253363
N-[2-(1H-imidazol-1-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70738791
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethyl-1H-imidazol-1-yl)acetamide
CID 91793352
N'-[(4-ethyl-1,3-thiazol-2-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylurea
CID 121498077
Imidazole-1-carboxylic acid {4-[(methoxy-methyl-amino)-methyl]-thiazol-2-yl}-amide
CID 43819141
1-[2-[1-(Difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 56826814
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-(4-ethyl-1,3-thiazol-2-yl)-1-methylurea
CID 71991741
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75504525
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 95598221

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 71980952) is 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NC2CCCC2n2ccnc2)n1.
What is the InChIKey of 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is STHJVRNMMQLUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-7-20-13(15-9)17-12(19)16-10-3-2-4-11(10)18-6-5-14-8-18/h5-8,10-11H,2-4H2,1H3,(H2,15,16,17,19).
What are the key properties of 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 291.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71980952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).