1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea

C14H15N3O2S — CID 843896

IUPAC1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NNC(=O)c1ccoc1C
InChIInChI=1S/C14H15N3O2S/c1-9-5-3-4-6-12(9)15-14(20)17-16-13(18)11-7-8-19-10(11)2/h3-8H,1-2H3,(H,16,18)(H2,15,17,20)
InChIKeyCXHWRSFABRDKCD-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.53
Rot. Bonds2

About 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea

1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea (PubChem CID 843896) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea
PubChem CID843896
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NNC(=O)c1ccoc1C
InChIInChI=1S/C14H15N3O2S/c1-9-5-3-4-6-12(9)15-14(20)17-16-13(18)11-7-8-19-10(11)2/h3-8H,1-2H3,(H,16,18)(H2,15,17,20)
InChIKeyCXHWRSFABRDKCD-UHFFFAOYSA-N
XLogP2.53
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_C(9)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)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

Fenfuram
CID 90590
2-(2-furoyl)-N-(2-methylphenyl)hydrazinecarbothioamide
CID 843888
N-(2-methoxy-5-methylphenyl)-2-[(2-methylfuran-3-yl)carbonyl]hydrazinecarboxamide
CID 970716
N-benzyl-2-(2-methyl-3-furoyl)hydrazinecarbothioamide
CID 843847
1-[[2-Furanyl(oxo)methyl]amino]-3-(3-methylphenyl)thiourea
CID 844572
1-(3,4-Dimethoxyphenyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea
CID 970383
2-(2-furoyl)-N-(4-methylphenyl)hydrazinecarbothioamide
CID 703423
3-[(2E)-3-(Furan-2-YL)prop-2-enoyl]-1-(3-methylphenyl)thiourea
CID 827090
N-(2,5-dimethylphenyl)-2-(2-furoyl)hydrazinecarbothioamide
CID 843862
2-(2-methyl-3-furoyl)-N-phenylhydrazinecarbothioamide
CID 877023
N-(3-acetylphenyl)-2-(2-furoyl)hydrazinecarbothioamide
CID 1298308
N-(2,4-difluorophenyl)-2-(2-methyl-3-furoyl)hydrazinecarboxamide
CID 2954537

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea (CID 843896) is 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NNC(=O)c1ccoc1C.
What is the InChIKey of 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea?
The InChIKey is CXHWRSFABRDKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-5-3-4-6-12(9)15-14(20)17-16-13(18)11-7-8-19-10(11)2/h3-8H,1-2H3,(H,16,18)(H2,15,17,20).
What are the key properties of 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea?
1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea has a molecular weight of 289.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylfuran-3-carbonyl)amino]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 843896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).