N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane

C19H22N2S — CID 91283216

IUPACN-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
SMILESCC.Cc1ccc(Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C17H16N2S.C2H6/c1-12-8-9-15(10-13(12)2)18-17-19-16(11-20-17)14-6-4-3-5-7-14;1-2/h3-11H,1-2H3,(H,18,19);1-2H3
InChIKeyCQNFGWIEHXTCLU-UHFFFAOYSA-N
MW310.47 g/mol
LogP6.20
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane

N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane (PubChem CID 91283216) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
PubChem CID91283216
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC NameN-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
SMILESCC.Cc1ccc(Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C17H16N2S.C2H6/c1-12-8-9-15(10-13(12)2)18-17-19-16(11-20-17)14-6-4-3-5-7-14;1-2/h3-11H,1-2H3,(H,18,19);1-2H3
InChIKeyCQNFGWIEHXTCLU-UHFFFAOYSA-N
XLogP6.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.47
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 1412311

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane?
The IUPAC name of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane (CID 91283216) is N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane is CC.Cc1ccc(Nc2nc(-c3ccccc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane?
The InChIKey is CQNFGWIEHXTCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S.C2H6/c1-12-8-9-15(10-13(12)2)18-17-19-16(11-20-17)14-6-4-3-5-7-14;1-2/h3-11H,1-2H3,(H,18,19);1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane?
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane has a molecular weight of 310.47 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 91283216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).