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

C17H23N3S — CID 103378981

IUPAC5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCC1CCC(Nc2snc(N)c2-c2ccccc2)CC1
InChIInChI=1S/C17H23N3S/c1-2-12-8-10-14(11-9-12)19-17-15(16(18)20-21-17)13-6-4-3-5-7-13/h3-7,12,14,19H,2,8-11H2,1H3,(H2,18,20)
InChIKeyVUGVWQBLPOBFKJ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.77
Rot. Bonds4

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

5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103378981) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103378981
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCC1CCC(Nc2snc(N)c2-c2ccccc2)CC1
InChIInChI=1S/C17H23N3S/c1-2-12-8-10-14(11-9-12)19-17-15(16(18)20-21-17)13-6-4-3-5-7-13/h3-7,12,14,19H,2,8-11H2,1H3,(H2,18,20)
InChIKeyVUGVWQBLPOBFKJ-UHFFFAOYSA-N
XLogP4.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103378981) is 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine is CCC1CCC(Nc2snc(N)c2-c2ccccc2)CC1.
What is the InChIKey of 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is VUGVWQBLPOBFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-12-8-10-14(11-9-12)19-17-15(16(18)20-21-17)13-6-4-3-5-7-13/h3-7,12,14,19H,2,8-11H2,1H3,(H2,18,20).
What are the key properties of 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 301.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).