N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine

C15H21N3S2 — CID 62753226

IUPACN-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(N2CCc3sccc3C2C)nc1C
InChIInChI=1S/C15H21N3S2/c1-9(16-4)14-10(2)17-15(20-14)18-7-5-13-12(11(18)3)6-8-19-13/h6,8-9,11,16H,5,7H2,1-4H3
InChIKeyQGGHPDPDFHTHDQ-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.92
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62753226) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62753226
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC NameN-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(N2CCc3sccc3C2C)nc1C
InChIInChI=1S/C15H21N3S2/c1-9(16-4)14-10(2)17-15(20-14)18-7-5-13-12(11(18)3)6-8-19-13/h6,8-9,11,16H,5,7H2,1-4H3
InChIKeyQGGHPDPDFHTHDQ-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine (CID 62753226) is N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(N2CCc3sccc3C2C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QGGHPDPDFHTHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-9(16-4)14-10(2)17-15(20-14)18-7-5-13-12(11(18)3)6-8-19-13/h6,8-9,11,16H,5,7H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 307.49 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62753226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).