N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine

C16H19N3S — CID 44665667

IUPACN-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(NN=C2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3S/c1-12-15(13-8-4-2-5-9-13)17-16(20-12)19-18-14-10-6-3-7-11-14/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyIFGSXVUHAGUGPU-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.85
Rot. Bonds3

About N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 44665667) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID44665667
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(NN=C2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3S/c1-12-15(13-8-4-2-5-9-13)17-16(20-12)19-18-14-10-6-3-7-11-14/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyIFGSXVUHAGUGPU-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
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4,5-diphenylthiazole
CID 73222
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Hydrazinyl-4-phenylthiazole
CID 98613
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4-Methyl-5-phenyl-thiazol-2-ylamine
CID 244067
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 44665667) is N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine is Cc1sc(NN=C2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is IFGSXVUHAGUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12-15(13-8-4-2-5-9-13)17-16(20-12)19-18-14-10-6-3-7-11-14/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-(cyclohexylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-(cyclohexylideneamino)-5-methyl-4-phenyl-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)-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 44665667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).