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

C23H20N4OS3 — CID 43968520

IUPACN-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CCN(C)C4)sc2c1
InChIInChI=1S/C23H20N4OS3/c1-27-10-9-14-19(12-27)30-22(20(14)21-24-15-5-3-4-6-17(15)29-21)26-23-25-16-8-7-13(28-2)11-18(16)31-23/h3-8,11H,9-10,12H2,1-2H3,(H,25,26)
InChIKeyHZJKTTYLXOSIAY-UHFFFAOYSA-N
MW464.64 g/mol
LogP6.37
Rot. Bonds4

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

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 43968520) has the molecular formula C23H20N4OS3 and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID43968520
Molecular FormulaC23H20N4OS3
Molecular Weight464.64 g/mol
Exact Mass464.08
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CCN(C)C4)sc2c1
InChIInChI=1S/C23H20N4OS3/c1-27-10-9-14-19(12-27)30-22(20(14)21-24-15-5-3-4-6-17(15)29-21)26-23-25-16-8-7-13(28-2)11-18(16)31-23/h3-8,11H,9-10,12H2,1-2H3,(H,25,26)
InChIKeyHZJKTTYLXOSIAY-UHFFFAOYSA-N
XLogP6.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.64
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-6-methoxy-1,3-benzothiazol-2-amine
CID 43968512
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 43968968
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dimethoxybenzamide
CID 3308384
2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43968519
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 44994505
1-[3-(1,3-benzothiazol-2-yl)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 43968600
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide
CID 43950698
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-propan-2-yloxybenzamide;hydrochloride
CID 44826435
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide;hydrochloride
CID 121043260
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43950600
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide;hydrochloride
CID 121045278
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-fluorophenoxy)acetamide
CID 43950623

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine (CID 43968520) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CCN(C)C4)sc2c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is HZJKTTYLXOSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS3/c1-27-10-9-14-19(12-27)30-22(20(14)21-24-15-5-3-4-6-17(15)29-21)26-23-25-16-8-7-13(28-2)11-18(16)31-23/h3-8,11H,9-10,12H2,1-2H3,(H,25,26).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine?
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 464.64 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43968520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).