5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine

C17H23N3S — CID 103382541

IUPAC5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCC1CCCC(Nc2snc(N)c2-c2ccccc2)C1C
InChIInChI=1S/C17H23N3S/c1-11-7-6-10-14(12(11)2)19-17-15(16(18)20-21-17)13-8-4-3-5-9-13/h3-5,8-9,11-12,14,19H,6-7,10H2,1-2H3,(H2,18,20)
InChIKeyUVOYTEFYSJOZGY-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.63
Rot. Bonds3

About 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine

5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103382541) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103382541
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCC1CCCC(Nc2snc(N)c2-c2ccccc2)C1C
InChIInChI=1S/C17H23N3S/c1-11-7-6-10-14(12(11)2)19-17-15(16(18)20-21-17)13-8-4-3-5-9-13/h3-5,8-9,11-12,14,19H,6-7,10H2,1-2H3,(H2,18,20)
InChIKeyUVOYTEFYSJOZGY-UHFFFAOYSA-N
XLogP4.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359786
5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103383818
5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349523
5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382579
5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103378981
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382843
5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103365712
5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364915
5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382325
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine
CID 115915661
2-[(2,3-dimethylcyclohexyl)amino]quinoline-4-carbonitrile
CID 63885038

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103382541) is 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine is CC1CCCC(Nc2snc(N)c2-c2ccccc2)C1C.
What is the InChIKey of 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is UVOYTEFYSJOZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-11-7-6-10-14(12(11)2)19-17-15(16(18)20-21-17)13-8-4-3-5-9-13/h3-5,8-9,11-12,14,19H,6-7,10H2,1-2H3,(H2,18,20).
What are the key properties of 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 301.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).