N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine

C9H12N4S2 — CID 105158940

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1csnn1
InChIInChI=1S/C9H12N4S2/c1-6-11-7(4-14-6)3-8(10-2)9-5-15-13-12-9/h4-5,8,10H,3H2,1-2H3
InChIKeyFOVWWAGRNTZJGO-UHFFFAOYSA-N
MW240.36 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105158940) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
PubChem CID105158940
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1csnn1
InChIInChI=1S/C9H12N4S2/c1-6-11-7(4-14-6)3-8(10-2)9-5-15-13-12-9/h4-5,8,10H,3H2,1-2H3
InChIKeyFOVWWAGRNTZJGO-UHFFFAOYSA-N
XLogP1.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
CID 107357241
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105091515
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107968485
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106848941
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105139402
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine (CID 105158940) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)c1csnn1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is FOVWWAGRNTZJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-6-11-7(4-14-6)3-8(10-2)9-5-15-13-12-9/h4-5,8,10H,3H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 240.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105158940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).