1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea

C19H21N3OS — CID 843472

IUPAC1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C19H21N3OS/c1-13-7-9-15(10-8-13)16-11-17(16)18(23)21-22-19(24)20-12-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,21,23)(H2,20,22,24)/t16-,17+/m0/s1
InChIKeyONKXCYLTHNMQFV-DLBZAZTESA-N
MW339.46 g/mol
LogP2.79
Rot. Bonds4

About 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea

1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (PubChem CID 843472) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
PubChem CID843472
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C19H21N3OS/c1-13-7-9-15(10-8-13)16-11-17(16)18(23)21-22-19(24)20-12-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,21,23)(H2,20,22,24)/t16-,17+/m0/s1
InChIKeyONKXCYLTHNMQFV-DLBZAZTESA-N
XLogP2.79
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]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-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 843482
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 999032
1-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]-3-(4-nitrophenyl)thiourea
CID 7304305
cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 100816285
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The IUPAC name of 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (CID 843472) is 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.
What is the SMILES notation for 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The canonical SMILES for 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The InChIKey is ONKXCYLTHNMQFV-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-7-9-15(10-8-13)16-11-17(16)18(23)21-22-19(24)20-12-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,21,23)(H2,20,22,24)/t16-,17+/m0/s1.
What are the key properties of 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea has a molecular weight of 339.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is sourced from PubChem (CID 843472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).