1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea

C14H19N3S — CID 3652809

IUPAC1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NN=C2CCCCC2)c1
InChIInChI=1S/C14H19N3S/c1-11-6-5-9-13(10-11)15-14(18)17-16-12-7-3-2-4-8-12/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,17,18)
InChIKeyYYBUTIDWXZOESO-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.60
Rot. Bonds2

About 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea

1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea (PubChem CID 3652809) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
PubChem CID3652809
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NN=C2CCCCC2)c1
InChIInChI=1S/C14H19N3S/c1-11-6-5-9-13(10-11)15-14(18)17-16-12-7-3-2-4-8-12/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,17,18)
InChIKeyYYBUTIDWXZOESO-UHFFFAOYSA-N
XLogP3.60
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(3-methylcyclohexylidene)amino]-3-(3-methylphenyl)thiourea
CID 6271679
1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea
CID 7930447
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-(3-bromophenyl)-3-(3-methylphenyl)thiourea
CID 9234111
1,3-bis[(3-methylphenyl)carbamothioylamino]urea
CID 2823948
1-(cyclododecylideneamino)-3-(2-methoxyphenyl)thiourea
CID 4134522
1-[(E)-(2-bromophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 45054455
1-anilino-3-(3-methylphenyl)thiourea
CID 8619974
1-(3-methylphenyl)-3-pyridin-4-ylthiourea
CID 19655574
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea
CID 6510688

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea (CID 3652809) is 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)NN=C2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea?
The InChIKey is YYBUTIDWXZOESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-6-5-9-13(10-11)15-14(18)17-16-12-7-3-2-4-8-12/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,17,18).
What are the key properties of 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea?
1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea has a molecular weight of 261.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 3652809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).