1-(3-chloroanilino)-3-cyclohexylthiourea

C13H18ClN3S — CID 2422676

IUPAC1-(3-chloroanilino)-3-cyclohexylthiourea
SMILESS=C(NNc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C13H18ClN3S/c14-10-5-4-8-12(9-10)16-17-13(18)15-11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7H2,(H2,15,17,18)
InChIKeyKNZUCLHMNXFKHV-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-chloroanilino)-3-cyclohexylthiourea

1-(3-chloroanilino)-3-cyclohexylthiourea (PubChem CID 2422676) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 1-(3-chloroanilino)-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-(3-chloroanilino)-3-cyclohexylthiourea
PubChem CID2422676
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name1-(3-chloroanilino)-3-cyclohexylthiourea
SMILESS=C(NNc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C13H18ClN3S/c14-10-5-4-8-12(9-10)16-17-13(18)15-11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7H2,(H2,15,17,18)
InChIKeyKNZUCLHMNXFKHV-UHFFFAOYSA-N
XLogP3.46
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.46
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-cyclohexyl-3-(3,4-dichloroanilino)thiourea
CID 8668611
1-(3-chlorophenyl)-3-(cyclopropylcarbamothioylamino)thiourea
CID 8742162
1-(3-chloroanilino)-3-phenylthiourea
CID 57269014
1-(3-chlorophenyl)-3-(9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 3218031
1-(4-chlorophenyl)-3-(cyclopentylcarbamothioylamino)thiourea
CID 971925
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-cyclopropyl-3-(2,4-dichloroanilino)thiourea
CID 8769459
1-(3-chlorophenyl)-3-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461586
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroanilino)-3-cyclohexylthiourea?
The IUPAC name of 1-(3-chloroanilino)-3-cyclohexylthiourea (CID 2422676) is 1-(3-chloroanilino)-3-cyclohexylthiourea.
What is the SMILES notation for 1-(3-chloroanilino)-3-cyclohexylthiourea?
The canonical SMILES for 1-(3-chloroanilino)-3-cyclohexylthiourea is S=C(NNc1cccc(Cl)c1)NC1CCCCC1.
What is the InChIKey of 1-(3-chloroanilino)-3-cyclohexylthiourea?
The InChIKey is KNZUCLHMNXFKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c14-10-5-4-8-12(9-10)16-17-13(18)15-11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7H2,(H2,15,17,18).
What are the key properties of 1-(3-chloroanilino)-3-cyclohexylthiourea?
1-(3-chloroanilino)-3-cyclohexylthiourea has a molecular weight of 283.83 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroanilino)-3-cyclohexylthiourea is sourced from PubChem (CID 2422676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).