1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

C17H21N3S2 — CID 108780488

IUPAC1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2ccc(NC(=S)NC3CCCCC3)cc2)cs1
InChIInChI=1S/C17H21N3S2/c1-12-18-16(11-22-12)13-7-9-15(10-8-13)20-17(21)19-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H2,19,20,21)
InChIKeyALFJJZYKLBQOCJ-UHFFFAOYSA-N
MW331.51 g/mol
LogP4.74
Rot. Bonds3

About 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (PubChem CID 108780488) has the molecular formula C17H21N3S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
PubChem CID108780488
Molecular FormulaC17H21N3S2
Molecular Weight331.51 g/mol
Exact Mass331.12
IUPAC Name1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2ccc(NC(=S)NC3CCCCC3)cc2)cs1
InChIInChI=1S/C17H21N3S2/c1-12-18-16(11-22-12)13-7-9-15(10-8-13)20-17(21)19-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H2,19,20,21)
InChIKeyALFJJZYKLBQOCJ-UHFFFAOYSA-N
XLogP4.74
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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

1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888698
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
1-cyclohexyl-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea
CID 3001223
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (CID 108780488) is 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is Cc1nc(-c2ccc(NC(=S)NC3CCCCC3)cc2)cs1.
What is the InChIKey of 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The InChIKey is ALFJJZYKLBQOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S2/c1-12-18-16(11-22-12)13-7-9-15(10-8-13)20-17(21)19-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea has a molecular weight of 331.51 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is sourced from PubChem (CID 108780488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).