3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea

C17H26N4OS — CID 134086666

IUPAC3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea
SMILESCC(C)c1nsc(NC(=O)N(C(C)C)C2CCCCC2)c1C#N
InChIInChI=1S/C17H26N4OS/c1-11(2)15-14(10-18)16(23-20-15)19-17(22)21(12(3)4)13-8-6-5-7-9-13/h11-13H,5-9H2,1-4H3,(H,19,22)
InChIKeyRWGVJEUWRPPCIW-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.71
Rot. Bonds4

About 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea

3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea (PubChem CID 134086666) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea
PubChem CID134086666
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea
SMILESCC(C)c1nsc(NC(=O)N(C(C)C)C2CCCCC2)c1C#N
InChIInChI=1S/C17H26N4OS/c1-11(2)15-14(10-18)16(23-20-15)19-17(22)21(12(3)4)13-8-6-5-7-9-13/h11-13H,5-9H2,1-4H3,(H,19,22)
InChIKeyRWGVJEUWRPPCIW-UHFFFAOYSA-N
XLogP4.71
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea with MolForge

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Related Compounds

3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1,1-bis(prop-2-enyl)urea
CID 134119303
N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide
CID 15280155
3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-ethyl-1,1-dimethylguanidine
CID 134111928
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[cyclohexyl(methyl)amino]acetamide
CID 22200480
1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea
CID 5062915
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[cyclohexyl(methyl)amino]propanamide
CID 27067386
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[cyclohexyl(methyl)amino]propanamide
CID 51431521
3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile
CID 103381202
methyl 4-cyclopropyl-3-propan-2-yl-1,2-thiazole-5-carboxylate
CID 171095984
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626327
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
CID 19433807
N-cyclopropyl-N-propan-2-ylcyclohexanecarboxamide
CID 110872848

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea?
The IUPAC name of 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea (CID 134086666) is 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea.
What is the SMILES notation for 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea?
The canonical SMILES for 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea is CC(C)c1nsc(NC(=O)N(C(C)C)C2CCCCC2)c1C#N.
What is the InChIKey of 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea?
The InChIKey is RWGVJEUWRPPCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-11(2)15-14(10-18)16(23-20-15)19-17(22)21(12(3)4)13-8-6-5-7-9-13/h11-13H,5-9H2,1-4H3,(H,19,22).
What are the key properties of 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea?
3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea has a molecular weight of 334.49 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea is sourced from PubChem (CID 134086666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).