1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea

C15H24N2OS — CID 133174482

IUPAC1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCCCC(C)NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C15H24N2OS/c1-5-7-12(4)16-15(19)17-13-8-6-9-14(10-13)18-11(2)3/h6,8-12H,5,7H2,1-4H3,(H2,16,17,19)
InChIKeyPAGSLCFIMPCTSH-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.95
Rot. Bonds6

About 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea

1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea (PubChem CID 133174482) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea.

Molecular Properties

Compound Name1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea
PubChem CID133174482
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCCCC(C)NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C15H24N2OS/c1-5-7-12(4)16-15(19)17-13-8-6-9-14(10-13)18-11(2)3/h6,8-12H,5,7H2,1-4H3,(H2,16,17,19)
InChIKeyPAGSLCFIMPCTSH-UHFFFAOYSA-N
XLogP3.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)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-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100649697
1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 47514994
N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154871
1-tert-butyl-3-(3-propan-2-yloxyphenyl)thiourea
CID 100582169
1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100634662
1-[(4-fluorophenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100635319
1-[(S)-(4-methylphenyl)-phenylmethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100661240
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
1-[(1R)-1-(2,4-dimethylphenyl)-2-methylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100747030
1-(3-propan-2-yloxyphenyl)-3-[3-(4-propan-2-yloxyphenyl)propyl]thiourea
CID 100681927
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
CID 100579625
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea?
The IUPAC name of 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea (CID 133174482) is 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea.
What is the SMILES notation for 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea?
The canonical SMILES for 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea is CCCC(C)NC(=S)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea?
The InChIKey is PAGSLCFIMPCTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-7-12(4)16-15(19)17-13-8-6-9-14(10-13)18-11(2)3/h6,8-12H,5,7H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea?
1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea has a molecular weight of 280.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea is sourced from PubChem (CID 133174482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).