(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C15H13N3OS2 — CID 155498804

IUPAC(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESNc1nc2cc(C(=O)N3CCc4sccc4C3)ccc2s1
InChIInChI=1S/C15H13N3OS2/c16-15-17-11-7-9(1-2-13(11)21-15)14(19)18-5-3-12-10(8-18)4-6-20-12/h1-2,4,6-7H,3,5,8H2,(H2,16,17)
InChIKeyNBUYAHLZKCIGDY-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.14
Rot. Bonds1

About (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 155498804) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID155498804
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESNc1nc2cc(C(=O)N3CCc4sccc4C3)ccc2s1
InChIInChI=1S/C15H13N3OS2/c16-15-17-11-7-9(1-2-13(11)21-15)14(19)18-5-3-12-10(8-18)4-6-20-12/h1-2,4,6-7H,3,5,8H2,(H2,16,17)
InChIKeyNBUYAHLZKCIGDY-UHFFFAOYSA-N
XLogP3.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 113257128
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30454724
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
CID 43414813
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrazolo[1,5-a]pyridin-5-yl)methanone
CID 155498832
2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide
CID 30455552
4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
CID 60636409
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18142515
(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43159417

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 155498804) is (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is Nc1nc2cc(C(=O)N3CCc4sccc4C3)ccc2s1.
What is the InChIKey of (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is NBUYAHLZKCIGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c16-15-17-11-7-9(1-2-13(11)21-15)14(19)18-5-3-12-10(8-18)4-6-20-12/h1-2,4,6-7H,3,5,8H2,(H2,16,17).
What are the key properties of (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 155498804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).