N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine

C12H20N2S2 — CID 115091138

IUPACN-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCCSC2)s1
InChIInChI=1S/C12H20N2S2/c1-9(13-2)11-7-14-12(16-11)6-10-4-3-5-15-8-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyOMTOVUOYVVMCKG-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.11
Rot. Bonds4

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

N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115091138) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115091138
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCCSC2)s1
InChIInChI=1S/C12H20N2S2/c1-9(13-2)11-7-14-12(16-11)6-10-4-3-5-15-8-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyOMTOVUOYVVMCKG-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766702
2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091155
3-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091179
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
CID 115090169
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 65131746
1-[2-[di(cyclobutyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 112743764
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 106815131
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
N-methyl-1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 115092055
1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 65391518

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 115091138) is N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(CC2CCCSC2)s1.
What is the InChIKey of N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is OMTOVUOYVVMCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-9(13-2)11-7-14-12(16-11)6-10-4-3-5-15-8-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 256.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115091138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).