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

C12H20N2S2 — CID 80726824

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCc1nc(C(C)NCC2(C)CCCS2)cs1
InChIInChI=1S/C12H20N2S2/c1-9(11-7-15-10(2)14-11)13-8-12(3)5-4-6-16-12/h7,9,13H,4-6,8H2,1-3H3
InChIKeyAQPHWBUYQYNWSO-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.39
Rot. Bonds4

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

1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 80726824) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID80726824
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCc1nc(C(C)NCC2(C)CCCS2)cs1
InChIInChI=1S/C12H20N2S2/c1-9(11-7-15-10(2)14-11)13-8-12(3)5-4-6-16-12/h7,9,13H,4-6,8H2,1-3H3
InChIKeyAQPHWBUYQYNWSO-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113348796
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113364654
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97021499
1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725439
1-(2-bromophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80527896
N,N-dimethyl-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]aniline
CID 80725736
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016
2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol
CID 80725546

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine (CID 80726824) is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine is Cc1nc(C(C)NCC2(C)CCCS2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is AQPHWBUYQYNWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-9(11-7-15-10(2)14-11)13-8-12(3)5-4-6-16-12/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 256.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80726824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).