N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine

C12H11N3S2 — CID 81143716

IUPACN-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCNCc1cnc(-c2cnc3ccsc3c2)s1
InChIInChI=1S/C12H11N3S2/c1-13-6-9-7-15-12(17-9)8-4-11-10(14-5-8)2-3-16-11/h2-5,7,13H,6H2,1H3
InChIKeyAENXIAUKWFEKAZ-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.14
Rot. Bonds3

About N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine

N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 81143716) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
PubChem CID81143716
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC NameN-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCNCc1cnc(-c2cnc3ccsc3c2)s1
InChIInChI=1S/C12H11N3S2/c1-13-6-9-7-15-12(17-9)8-4-11-10(14-5-8)2-3-16-11/h2-5,7,13H,6H2,1H3
InChIKeyAENXIAUKWFEKAZ-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine (CID 81143716) is N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine is CNCc1cnc(-c2cnc3ccsc3c2)s1.
What is the InChIKey of N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is AENXIAUKWFEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-13-6-9-7-15-12(17-9)8-4-11-10(14-5-8)2-3-16-11/h2-5,7,13H,6H2,1H3.
What are the key properties of N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine?
N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 261.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 81143716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).