N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C13H18N2S — CID 616412

IUPACN-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCCc1ccccc1NC1=NC(C)(C)CS1
InChIInChI=1S/C13H18N2S/c1-4-10-7-5-6-8-11(10)14-12-15-13(2,3)9-16-12/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyYYRSCMUVHLOKJM-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.54
Rot. Bonds2

About N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 616412) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID616412
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCCc1ccccc1NC1=NC(C)(C)CS1
InChIInChI=1S/C13H18N2S/c1-4-10-7-5-6-8-11(10)14-12-15-13(2,3)9-16-12/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyYYRSCMUVHLOKJM-UHFFFAOYSA-N
XLogP3.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64551922
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426
N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439978
N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43555941
4,4-diethyl-N-(2-iodophenyl)-5H-1,3-thiazol-2-amine
CID 62524295
5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250477
N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2496498
N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 102854306
N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299128
N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 54965185

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 616412) is N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CCc1ccccc1NC1=NC(C)(C)CS1.
What is the InChIKey of N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is YYRSCMUVHLOKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-4-10-7-5-6-8-11(10)14-12-15-13(2,3)9-16-12/h5-8H,4,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 616412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).