N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine

C13H13N3S2 — CID 81143527

IUPACN-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C13H13N3S2/c1-2-14-7-10-8-18-13(16-10)9-5-12-11(15-6-9)3-4-17-12/h3-6,8,14H,2,7H2,1H3
InChIKeyDGPSNEPGEOVIPF-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.53
Rot. Bonds4

About N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine

N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 81143527) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID81143527
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C13H13N3S2/c1-2-14-7-10-8-18-13(16-10)9-5-12-11(15-6-9)3-4-17-12/h3-6,8,14H,2,7H2,1H3
InChIKeyDGPSNEPGEOVIPF-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 81143527) is N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine is CCNCc1csc(-c2cnc3ccsc3c2)n1.
What is the InChIKey of N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is DGPSNEPGEOVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-2-14-7-10-8-18-13(16-10)9-5-12-11(15-6-9)3-4-17-12/h3-6,8,14H,2,7H2,1H3.
What are the key properties of N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81143527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).