3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea

C19H23ClN2S2 — CID 3511745

IUPAC3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCc1c(Cl)cccc1NC(=S)N(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C19H23ClN2S2/c1-14-17(20)10-5-11-18(14)21-19(23)22(13-16-9-6-12-24-16)15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H,21,23)
InChIKeyUAHKQDJFWCDIFL-UHFFFAOYSA-N
MW378.99 g/mol
LogP6.24
Rot. Bonds4

About 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea

3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 3511745) has the molecular formula C19H23ClN2S2 and a molecular weight of 378.99 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
PubChem CID3511745
Molecular FormulaC19H23ClN2S2
Molecular Weight378.99 g/mol
Exact Mass378.10
IUPAC Name3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCc1c(Cl)cccc1NC(=S)N(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C19H23ClN2S2/c1-14-17(20)10-5-11-18(14)21-19(23)22(13-16-9-6-12-24-16)15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H,21,23)
InChIKeyUAHKQDJFWCDIFL-UHFFFAOYSA-N
XLogP6.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.99
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-2-methylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(thiophen-2-ylmethyl)thiourea
CID 9232059
3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 5102192
3-(4-chloro-2-methoxy-5-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 4292972
3-(4-chloro-2-methylphenyl)-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 4616878
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
1-cyclohexyl-3-(4-phenoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 4659898
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
3-(3-chloro-2-methylphenyl)-1,1-dipropylthiourea
CID 17379704
1-cyclohexyl-1-ethyl-3-(2-methylphenyl)thiourea
CID 23931956
1-(1-acetylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4062174
2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide
CID 46371529

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea (CID 3511745) is 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea is Cc1c(Cl)cccc1NC(=S)N(Cc1cccs1)C1CCCCC1.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is UAHKQDJFWCDIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2S2/c1-14-17(20)10-5-11-18(14)21-19(23)22(13-16-9-6-12-24-16)15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H,21,23).
What are the key properties of 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 378.99 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 3511745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).