1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea

C17H22N2OS — CID 9234062

IUPAC1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
SMILESCc1ccc(C)c(NC(=S)N[C@@H](C)CCc2ccco2)c1
InChIInChI=1S/C17H22N2OS/c1-12-6-7-13(2)16(11-12)19-17(21)18-14(3)8-9-15-5-4-10-20-15/h4-7,10-11,14H,8-9H2,1-3H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyWZUGPTRJOAEQIU-AWEZNQCLSA-N
MW302.44 g/mol
LogP4.20
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea

1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea (PubChem CID 9234062) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
PubChem CID9234062
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
SMILESCc1ccc(C)c(NC(=S)N[C@@H](C)CCc2ccco2)c1
InChIInChI=1S/C17H22N2OS/c1-12-6-7-13(2)16(11-12)19-17(21)18-14(3)8-9-15-5-4-10-20-15/h4-7,10-11,14H,8-9H2,1-3H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyWZUGPTRJOAEQIU-AWEZNQCLSA-N
XLogP4.20
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]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-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea
CID 9233877
1-(2,5-dimethylphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100755959
1-[(2S)-butan-2-yl]-3-(2,5-dimethylphenyl)thiourea
CID 8015111
1-(4-butylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234141
N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
CID 43739655
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
1-(2,5-dimethylphenyl)-3-[(1R)-2-methyl-1-(2-methylphenyl)propyl]thiourea
CID 100745564
2-[4-(furan-2-yl)butan-2-ylamino]-5-methylbenzoic acid
CID 62516226
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
1-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(2,5-dimethylphenyl)thiourea
CID 100752115
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
1-(2,5-dimethylphenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(furan-2-ylmethyl)carbamimidoyl]thiourea
CID 17089620

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea (CID 9234062) is 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea is Cc1ccc(C)c(NC(=S)N[C@@H](C)CCc2ccco2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea?
The InChIKey is WZUGPTRJOAEQIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-6-7-13(2)16(11-12)19-17(21)18-14(3)8-9-15-5-4-10-20-15/h4-7,10-11,14H,8-9H2,1-3H3,(H2,18,19,21)/t14-/m0/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea?
1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea has a molecular weight of 302.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea is sourced from PubChem (CID 9234062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).