3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea

C19H23ClN2S2 — CID 5102192

IUPAC3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCc1ccc(Cl)cc1NC(=S)N(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C19H23ClN2S2/c1-14-9-10-15(20)12-18(14)21-19(23)22(13-17-8-5-11-24-17)16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7,13H2,1H3,(H,21,23)
InChIKeyIVJOVLMGYYNLJW-UHFFFAOYSA-N
MW378.99 g/mol
LogP6.24
Rot. Bonds4

About 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea

3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 5102192) has the molecular formula C19H23ClN2S2 and a molecular weight of 378.99 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
PubChem CID5102192
Molecular FormulaC19H23ClN2S2
Molecular Weight378.99 g/mol
Exact Mass378.10
IUPAC Name3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCc1ccc(Cl)cc1NC(=S)N(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C19H23ClN2S2/c1-14-9-10-15(20)12-18(14)21-19(23)22(13-17-8-5-11-24-17)16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7,13H2,1H3,(H,21,23)
InChIKeyIVJOVLMGYYNLJW-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'}

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Related Compounds

3-(4-chloro-2-methylphenyl)-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 4616878
3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 3511745
3-(4-chloro-2-methoxy-5-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 4292972
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
1-cyclohexyl-3-(4-phenoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 4659898
3-(3-chloro-2-methylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(thiophen-2-ylmethyl)thiourea
CID 9232059
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767
2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide
CID 46371529
3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610830
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea
CID 3413685
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea (CID 5102192) is 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea is Cc1ccc(Cl)cc1NC(=S)N(Cc1cccs1)C1CCCCC1.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is IVJOVLMGYYNLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2S2/c1-14-9-10-15(20)12-18(14)21-19(23)22(13-17-8-5-11-24-17)16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7,13H2,1H3,(H,21,23).
What are the key properties of 3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea?
3-(5-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-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 5102192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).