N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

C19H25N3S — CID 126057800

IUPACN-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(C)c(C)s1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H25N3S/c1-13-15(3)23-19(20-13)22-21-14(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h9-12,17H,4-8H2,1-3H3,(H,20,22)/b21-14+
InChIKeyLLQCBSIWLBLQQR-KGENOOAVSA-N
MW327.50 g/mol
LogP5.64
Rot. Bonds4

About N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 126057800) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID126057800
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC NameN-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(C)c(C)s1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H25N3S/c1-13-15(3)23-19(20-13)22-21-14(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h9-12,17H,4-8H2,1-3H3,(H,20,22)/b21-14+
InChIKeyLLQCBSIWLBLQQR-KGENOOAVSA-N
XLogP5.64
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.50
LogP ≤ 55.64
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

N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 126061876
1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
CID 4067906
3-chloro-N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6163520
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
CID 3638697
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976
N"-[(E)-1-[2-(4-cyclohexylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]methanetriamine
CID 122498759
ethyl 4-methyl-2-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 171131857
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 126057800) is N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is C/C(=N\Nc1nc(C)c(C)s1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LLQCBSIWLBLQQR-KGENOOAVSA-N. The full InChI is InChI=1S/C19H25N3S/c1-13-15(3)23-19(20-13)22-21-14(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h9-12,17H,4-8H2,1-3H3,(H,20,22)/b21-14+.
What are the key properties of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 327.50 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126057800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).