1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea

C13H17N3OS — CID 4282829

IUPAC1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NNC(=O)C2CC2)c(C)c1
InChIInChI=1S/C13H17N3OS/c1-8-3-6-11(9(2)7-8)14-13(18)16-15-12(17)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,15,17)(H2,14,16,18)
InChIKeyFZZAMAYKMARDNA-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.03
Rot. Bonds2

About 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea

1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea (PubChem CID 4282829) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
PubChem CID4282829
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NNC(=O)C2CC2)c(C)c1
InChIInChI=1S/C13H17N3OS/c1-8-3-6-11(9(2)7-8)14-13(18)16-15-12(17)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,15,17)(H2,14,16,18)
InChIKeyFZZAMAYKMARDNA-UHFFFAOYSA-N
XLogP2.03
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.03
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

N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149567
1-(2,4-dimethylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]thiourea
CID 8617074
N-[(2,4-dimethylphenyl)carbamothioyl]propanamide
CID 3777928
(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
CID 90130717
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2,4-dimethylphenyl)carbamothioylamino]thiourea
CID 11888736
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
1-[(2-bromobenzoyl)amino]-3-(2,4-dimethylphenyl)thiourea
CID 3280460
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea?
The IUPAC name of 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea (CID 4282829) is 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea.
What is the SMILES notation for 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea?
The canonical SMILES for 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea is Cc1ccc(NC(=S)NNC(=O)C2CC2)c(C)c1.
What is the InChIKey of 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea?
The InChIKey is FZZAMAYKMARDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-3-6-11(9(2)7-8)14-13(18)16-15-12(17)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,15,17)(H2,14,16,18).
What are the key properties of 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea?
1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea has a molecular weight of 263.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea is sourced from PubChem (CID 4282829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).