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

C14H18N2S — CID 115715269

IUPACN-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCc1cccc(CCNC(C)c2cncs2)c1
InChIInChI=1S/C14H18N2S/c1-11-4-3-5-13(8-11)6-7-16-12(2)14-9-15-10-17-14/h3-5,8-10,12,16H,6-7H2,1-2H3
InChIKeyXKBSRXCBWXWXGR-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.34
Rot. Bonds5

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

N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 115715269) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID115715269
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCc1cccc(CCNC(C)c2cncs2)c1
InChIInChI=1S/C14H18N2S/c1-11-4-3-5-13(8-11)6-7-16-12(2)14-9-15-10-17-14/h3-5,8-10,12,16H,6-7H2,1-2H3
InChIKeyXKBSRXCBWXWXGR-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62314433
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314813
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103775879
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 115715269) is N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine is Cc1cccc(CCNC(C)c2cncs2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is XKBSRXCBWXWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-4-3-5-13(8-11)6-7-16-12(2)14-9-15-10-17-14/h3-5,8-10,12,16H,6-7H2,1-2H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115715269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).