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

C19H21N3OS — CID 843482

IUPAC1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H21N3OS/c1-12-6-8-14(9-7-12)16-11-17(16)18(23)21-22-19(24)20-15-5-3-4-13(2)10-15/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,24)/t16-,17+/m1/s1
InChIKeyZWQAAAAGSDREOQ-SJORKVTESA-N
MW339.46 g/mol
LogP3.42
Rot. Bonds3

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

1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (PubChem CID 843482) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
PubChem CID843482
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H21N3OS/c1-12-6-8-14(9-7-12)16-11-17(16)18(23)21-22-19(24)20-15-5-3-4-13(2)10-15/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,24)/t16-,17+/m1/s1
InChIKeyZWQAAAAGSDREOQ-SJORKVTESA-N
XLogP3.42
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.42
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'}

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Related Compounds

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
1-[[(1S,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(3-methoxyphenyl)thiourea
CID 998891
1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 843472
1,3-bis[(3-methylphenyl)carbamothioylamino]urea
CID 2823948
3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 8022943
1-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-methoxyphenyl)thiourea
CID 998858
1-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]-3-phenylthiourea
CID 78364812
1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea
CID 27518691
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
1-[[(1R,2S)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-3-(3-nitrophenyl)urea
CID 27521993

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The IUPAC name of 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (CID 843482) is 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The canonical SMILES for 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The InChIKey is ZWQAAAAGSDREOQ-SJORKVTESA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-6-8-14(9-7-12)16-11-17(16)18(23)21-22-19(24)20-15-5-3-4-13(2)10-15/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,24)/t16-,17+/m1/s1.
What are the key properties of 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea has a molecular weight of 339.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is sourced from PubChem (CID 843482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).