1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea

C11H17N3OS — CID 106370549

IUPAC1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
SMILESCc1cnc(CNC(=S)NC2CCCC2)o1
InChIInChI=1S/C11H17N3OS/c1-8-6-12-10(15-8)7-13-11(16)14-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,13,14,16)
InChIKeyJSKJMVUETXAUMG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.89
Rot. Bonds3

About 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea

1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea (PubChem CID 106370549) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
PubChem CID106370549
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
SMILESCc1cnc(CNC(=S)NC2CCCC2)o1
InChIInChI=1S/C11H17N3OS/c1-8-6-12-10(15-8)7-13-11(16)14-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,13,14,16)
InChIKeyJSKJMVUETXAUMG-UHFFFAOYSA-N
XLogP1.89
TPSA50.09 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
1-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 83814579
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370563
1-cyclohexyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
CID 113226459
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
1-cyclopentyl-3-[(3-methyl-4-pyridinyl)methyl]thiourea
CID 114699391
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 106370612
1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea
CID 115704568
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
CID 106369501
1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea
CID 103946435
1-cyclohexyl-3-[(4-methylthiophen-3-yl)methyl]thiourea
CID 116509457
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea (CID 106370549) is 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea is Cc1cnc(CNC(=S)NC2CCCC2)o1.
What is the InChIKey of 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea?
The InChIKey is JSKJMVUETXAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-6-12-10(15-8)7-13-11(16)14-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea?
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea has a molecular weight of 239.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea is sourced from PubChem (CID 106370549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).