1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

C12H16N2S2 — CID 61346609

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1nc(C)c(C)s1
InChIInChI=1S/C12H16N2S2/c1-7-5-6-10(15-7)11(13-4)12-14-8(2)9(3)16-12/h5-6,11,13H,1-4H3
InChIKeyAOHNKNDCXKIIQY-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.44
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 61346609) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
PubChem CID61346609
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1nc(C)c(C)s1
InChIInChI=1S/C12H16N2S2/c1-7-5-6-10(15-7)11(13-4)12-14-8(2)9(3)16-12/h5-6,11,13H,1-4H3
InChIKeyAOHNKNDCXKIIQY-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 115604721
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
1-(2,6-dichlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331729
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
1-(5-bromothiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480371
1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332321
N-methyl-1-(5-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237920
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine
CID 62345229
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105379120
1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331924
N-methyl-1-(5-methylthiophen-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991248
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 61332716

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (CID 61346609) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is CNC(c1ccc(C)s1)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is AOHNKNDCXKIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-7-5-6-10(15-7)11(13-4)12-14-8(2)9(3)16-12/h5-6,11,13H,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 252.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 61346609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).