1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea

C17H22N4S3 — CID 2744247

IUPAC1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea
SMILESCC(=NNC(=S)NC1CCCCC1)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C17H22N4S3/c1-11-15(24-16(18-11)14-9-6-10-23-14)12(2)20-21-17(22)19-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8H2,1-2H3,(H2,19,21,22)
InChIKeyYXZIFDAOFJTDHI-UHFFFAOYSA-N
MW378.59 g/mol
LogP4.70
Rot. Bonds4

About 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea

1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea (PubChem CID 2744247) has the molecular formula C17H22N4S3 and a molecular weight of 378.59 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea
PubChem CID2744247
Molecular FormulaC17H22N4S3
Molecular Weight378.59 g/mol
Exact Mass378.10
IUPAC Name1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea
SMILESCC(=NNC(=S)NC1CCCCC1)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C17H22N4S3/c1-11-15(24-16(18-11)14-9-6-10-23-14)12(2)20-21-17(22)19-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8H2,1-2H3,(H2,19,21,22)
InChIKeyYXZIFDAOFJTDHI-UHFFFAOYSA-N
XLogP4.70
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea (CID 2744247) is 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea is CC(=NNC(=S)NC1CCCCC1)c1sc(-c2cccs2)nc1C.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The InChIKey is YXZIFDAOFJTDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S3/c1-11-15(24-16(18-11)14-9-6-10-23-14)12(2)20-21-17(22)19-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea has a molecular weight of 378.59 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethylideneamino]thiourea is sourced from PubChem (CID 2744247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).