1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

C9H14N4OS — CID 104700593

IUPAC1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C9H14N4OS/c1-6-10-9(15-13-6)12-8(14)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,10,11,12,13,14)
InChIKeyCLKUMRUBZRKHKL-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.91
Rot. Bonds2

About 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 104700593) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID104700593
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C9H14N4OS/c1-6-10-9(15-13-6)12-8(14)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,10,11,12,13,14)
InChIKeyCLKUMRUBZRKHKL-UHFFFAOYSA-N
XLogP1.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
CID 107068626
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
(2S)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104874322
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
CID 121080787

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 104700593) is 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is Cc1nsc(NC(=O)NC2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is CLKUMRUBZRKHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-10-9(15-13-6)12-8(14)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,10,11,12,13,14).
What are the key properties of 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 226.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 104700593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).