N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine

C16H19N3S — CID 50876172

IUPACN-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N3S/c1-12-7-9-13(10-8-12)15-11-20-16(17-15)19-18-14-5-3-2-4-6-14/h7-11H,2-6H2,1H3,(H,17,19)
InChIKeyKHLVZVWWHKJADP-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.85
Rot. Bonds3

About N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 50876172) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID50876172
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N3S/c1-12-7-9-13(10-8-12)15-11-20-16(17-15)19-18-14-5-3-2-4-6-14/h7-11H,2-6H2,1H3,(H,17,19)
InChIKeyKHLVZVWWHKJADP-UHFFFAOYSA-N
XLogP4.85
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
2-Hydrazinyl-4-phenylthiazole
CID 98613

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 50876172) is N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KHLVZVWWHKJADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12-7-9-13(10-8-12)15-11-20-16(17-15)19-18-14-5-3-2-4-6-14/h7-11H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 50876172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).