N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine

C16H22N2S — CID 61193660

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1nc(C)c(C(C)NC(C)c2ccccc2C)s1
InChIInChI=1S/C16H22N2S/c1-10-8-6-7-9-15(10)11(2)17-12(3)16-13(4)18-14(5)19-16/h6-9,11-12,17H,1-5H3
InChIKeySRSWZOPBQLDVTP-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.48
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 61193660) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID61193660
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1nc(C)c(C(C)NC(C)c2ccccc2C)s1
InChIInChI=1S/C16H22N2S/c1-10-8-6-7-9-15(10)11(2)17-12(3)16-13(4)18-14(5)19-16/h6-9,11-12,17H,1-5H3
InChIKeySRSWZOPBQLDVTP-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81396845
1-(2,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 61193776
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 61193442
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 65197277
(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81344838
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 61193320
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283
2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol
CID 61193431
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
CID 61064036

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine (CID 61193660) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine is Cc1nc(C)c(C(C)NC(C)c2ccccc2C)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is SRSWZOPBQLDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10-8-6-7-9-15(10)11(2)17-12(3)16-13(4)18-14(5)19-16/h6-9,11-12,17H,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 61193660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).