N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine

C12H15N3S — CID 105091515

IUPACN-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccccc1C)c1csnn1
InChIInChI=1S/C12H15N3S/c1-9-5-3-4-6-10(9)7-11(13-2)12-8-16-15-14-12/h3-6,8,11,13H,7H2,1-2H3
InChIKeyWMCXBPDNFWCFBN-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine

N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105091515) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
PubChem CID105091515
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccccc1C)c1csnn1
InChIInChI=1S/C12H15N3S/c1-9-5-3-4-6-10(9)7-11(13-2)12-8-16-15-14-12/h3-6,8,11,13H,7H2,1-2H3
InChIKeyWMCXBPDNFWCFBN-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916
2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105095616
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105132366
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105158940
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105150939
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105139402
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 114033693

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine (CID 105091515) is N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1ccccc1C)c1csnn1.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is WMCXBPDNFWCFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-5-3-4-6-10(9)7-11(13-2)12-8-16-15-14-12/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine?
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105091515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).