N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine

C16H22N2S — CID 61281296

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1nc(CNC(C)c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C16H22N2S/c1-10-6-12(3)16(7-11(10)2)13(4)17-8-15-9-19-14(5)18-15/h6-7,9,13,17H,8H2,1-5H3
InChIKeyDCBOVYUFISEQGF-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.23
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 61281296) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID61281296
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1nc(CNC(C)c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C16H22N2S/c1-10-6-12(3)16(7-11(10)2)13(4)17-8-15-9-19-14(5)18-15/h6-7,9,13,17H,8H2,1-5H3
InChIKeyDCBOVYUFISEQGF-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282442
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
1-(2,5-difluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43433814
1-(2,4-dibromophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282639
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63378657
1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103778055
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61282600
1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 86884942
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine (CID 61281296) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine is Cc1nc(CNC(C)c2cc(C)c(C)cc2C)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is DCBOVYUFISEQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10-6-12(3)16(7-11(10)2)13(4)17-8-15-9-19-14(5)18-15/h6-7,9,13,17H,8H2,1-5H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 61281296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).