1-cyclohexyl-3-(4-methylanilino)thiourea

C14H21N3S — CID 2372268

IUPAC1-cyclohexyl-3-(4-methylanilino)thiourea
SMILESCc1ccc(NNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C14H21N3S/c1-11-7-9-13(10-8-11)16-17-14(18)15-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3,(H2,15,17,18)
InChIKeyXELZAKIHLLRCNV-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.12
Rot. Bonds3

About 1-cyclohexyl-3-(4-methylanilino)thiourea

1-cyclohexyl-3-(4-methylanilino)thiourea (PubChem CID 2372268) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylanilino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylanilino)thiourea
PubChem CID2372268
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-cyclohexyl-3-(4-methylanilino)thiourea
SMILESCc1ccc(NNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C14H21N3S/c1-11-7-9-13(10-8-11)16-17-14(18)15-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3,(H2,15,17,18)
InChIKeyXELZAKIHLLRCNV-UHFFFAOYSA-N
XLogP3.12
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.12
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

N1-ethyl-2-phenylhydrazine-1-carbothioamide
CID 2731067
4-Cyclohexyl-1-phenyl-3-thiosemicarbazide
CID 674716
3-Amino-1-(4-methylphenyl)thiourea
CID 737132
4-(4-Ethylphenyl)-3-thiosemicarbazide
CID 3259670
1-(Tert-butylamino)-3-(4-methylphenyl)thiourea
CID 2731984
Hydrazinecarbothioamide, 2-phenyl-N-(phenylmethyl)-
CID 2324360
3-anilino-5-methyl-4-phenyl-1H-imidazole-2-thione
CID 3006078
N-benzyl-N'-(3-methylphenyl)-1,2-hydrazinedicarbothioamide
CID 971947
1-Benzyl-3-[(4-methylphenyl)carbamothioylamino]thiourea
CID 2320640
1-(2,6-Dimethylpiperidin-1-yl)-3-(4-isopropylphenyl)thiourea
CID 3943100
1-(3,5-Dimethylanilino)-4-methyl-5-phenylimidazolidine-2-thione
CID 44285973
N-cyclohexyl-N'-(4-methylphenyl)-1,2-hydrazinedicarbothioamide
CID 2223247

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylanilino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(4-methylanilino)thiourea (CID 2372268) is 1-cyclohexyl-3-(4-methylanilino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylanilino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(4-methylanilino)thiourea is Cc1ccc(NNC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylanilino)thiourea?
The InChIKey is XELZAKIHLLRCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11-7-9-13(10-8-11)16-17-14(18)15-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3,(H2,15,17,18).
What are the key properties of 1-cyclohexyl-3-(4-methylanilino)thiourea?
1-cyclohexyl-3-(4-methylanilino)thiourea has a molecular weight of 263.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylanilino)thiourea is sourced from PubChem (CID 2372268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).