N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C16H22N2S — CID 64544305

IUPACN-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H22N2S/c1-5-6-17-13(4)15-10-19-16(18-15)14-8-11(2)7-12(3)9-14/h7-10,13,17H,5-6H2,1-4H3
InChIKeyTUDKCSGUHRGYSZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.49
Rot. Bonds5

About N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64544305) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64544305
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H22N2S/c1-5-6-17-13(4)15-10-19-16(18-15)14-8-11(2)7-12(3)9-14/h7-10,13,17H,5-6H2,1-4H3
InChIKeyTUDKCSGUHRGYSZ-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545116
N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 107931873
N-[1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544498
N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 79980981
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-ethyl-1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544285
N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544292
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 107504219
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64542685
N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545180
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64544305) is N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(-c2cc(C)cc(C)c2)n1.
What is the InChIKey of N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is TUDKCSGUHRGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-6-17-13(4)15-10-19-16(18-15)14-8-11(2)7-12(3)9-14/h7-10,13,17H,5-6H2,1-4H3.
What are the key properties of N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64544305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).