N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C15H15N3S2 — CID 81146821

IUPACN-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3cnc4ccsc4c3)nc21
InChIInChI=1S/C15H15N3S2/c1-16-11-3-2-4-12-14(11)18-15(20-12)9-7-13-10(17-8-9)5-6-19-13/h5-8,11,16H,2-4H2,1H3
InChIKeyZXWUNUZOKKPXOU-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.02
Rot. Bonds2

About N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 81146821) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID81146821
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC NameN-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3cnc4ccsc4c3)nc21
InChIInChI=1S/C15H15N3S2/c1-16-11-3-2-4-12-14(11)18-15(20-12)9-7-13-10(17-8-9)5-6-19-13/h5-8,11,16H,2-4H2,1H3
InChIKeyZXWUNUZOKKPXOU-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975528
4-[4-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzene-1,2-diol
CID 136889181
2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 81143321
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 114330900
(4-cyclopropyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361944
2-(3-bromo-4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 115568095
2-(4-bromo-3-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 81440636
N-methyl-2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975563
2-(4-fluoro-2-methylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 81278243
N-methyl-2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 107920897
2-(2,5-dimethylthiophen-3-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976025
N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975493

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 81146821) is N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(-c3cnc4ccsc4c3)nc21.
What is the InChIKey of N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is ZXWUNUZOKKPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-16-11-3-2-4-12-14(11)18-15(20-12)9-7-13-10(17-8-9)5-6-19-13/h5-8,11,16H,2-4H2,1H3.
What are the key properties of N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 301.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thieno[3,2-b]pyridin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 81146821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).