1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea

C12H19N3OS — CID 71795572

IUPAC1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(C)c(CNC(=O)NC2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8-11(17-9(2)14-8)7-13-12(16)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeyRSLKBYAOVACAIO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.50
Rot. Bonds3

About 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea

1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 71795572) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID71795572
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(C)c(CNC(=O)NC2CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8-11(17-9(2)14-8)7-13-12(16)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeyRSLKBYAOVACAIO-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 64542073
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111507929
N-cyclopropyl-2-[[N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 119163267
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891845
(2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891816
1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 119891897
1-cyclopentyl-3-[(2-methyl-1,3-oxazol-4-yl)methyl]urea
CID 110747533
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110395068
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122731

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (CID 71795572) is 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is Cc1nc(C)c(CNC(=O)NC2CCCC2)s1.
What is the InChIKey of 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is RSLKBYAOVACAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-11(17-9(2)14-8)7-13-12(16)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 253.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 71795572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).