1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine

C16H22N2S — CID 61332131

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2nc(CC)c(C)s2)cc1
InChIInChI=1S/C16H22N2S/c1-5-12-7-9-13(10-8-12)15(17-4)16-18-14(6-2)11(3)19-16/h7-10,15,17H,5-6H2,1-4H3
InChIKeyDGXILQIYMSRMFR-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 61332131) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID61332131
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2nc(CC)c(C)s2)cc1
InChIInChI=1S/C16H22N2S/c1-5-12-7-9-13(10-8-12)15(17-4)16-18-14(6-2)11(3)19-16/h7-10,15,17H,5-6H2,1-4H3
InChIKeyDGXILQIYMSRMFR-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 61332919
1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106818049
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63077170
1-(3,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106531760
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61330942
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63970196
1-(2,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61330943
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 61332174
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
CID 61335017
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
1-(4-ethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 43484668

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine (CID 61332131) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2nc(CC)c(C)s2)cc1.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is DGXILQIYMSRMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-12-7-9-13(10-8-12)15(17-4)16-18-14(6-2)11(3)19-16/h7-10,15,17H,5-6H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 61332131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).