N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine

C13H14N4S — CID 81144346

IUPACN-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1nccn1C
InChIInChI=1S/C13H14N4S/c1-14-12(13-15-4-5-17(13)2)9-7-11-10(16-8-9)3-6-18-11/h3-8,12,14H,1-2H3
InChIKeyVAQKFNMVOPZIAQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.34
Rot. Bonds3

About N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine

N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81144346) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81144346
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1nccn1C
InChIInChI=1S/C13H14N4S/c1-14-12(13-15-4-5-17(13)2)9-7-11-10(16-8-9)3-6-18-11/h3-8,12,14H,1-2H3
InChIKeyVAQKFNMVOPZIAQ-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617
N-methyl-1-thieno[3,2-b]pyridin-6-yl-1-thiophen-2-ylmethanamine
CID 81143417
N-methyl-1-(2-propylpyrazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144255
1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144357
1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144449
1-(2,4-difluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143030
1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143896
1-[(1E)-cycloocten-1-yl]-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 106654066
1-thieno[3,2-b]pyridin-6-ylethanol
CID 64830910
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 102647907
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316123
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 63742518

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81144346) is N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine is CNC(c1cnc2ccsc2c1)c1nccn1C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is VAQKFNMVOPZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-14-12(13-15-4-5-17(13)2)9-7-11-10(16-8-9)3-6-18-11/h3-8,12,14H,1-2H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine?
N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 258.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81144346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).