(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C17H17N3OS2 — CID 38280106

IUPAC(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H17N3OS2/c1-2-13-11-8-10-22-14(11)7-9-20(13)17(21)19-16-18-12-5-3-4-6-15(12)23-16/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,19,21)/t13-/m1/s1
InChIKeyQWFSFIXPTKGGDI-CYBMUJFWSA-N
MW343.48 g/mol
LogP4.90
Rot. Bonds2

About (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 38280106) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID38280106
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H17N3OS2/c1-2-13-11-8-10-22-14(11)7-9-20(13)17(21)19-16-18-12-5-3-4-6-15(12)23-16/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,19,21)/t13-/m1/s1
InChIKeyQWFSFIXPTKGGDI-CYBMUJFWSA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71898973
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46442332
(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 124616346
4-ethyl-N-(4-propylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112824907
4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47493448
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55473205
4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide
CID 47365942
N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 42886199
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 38280106) is (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is QWFSFIXPTKGGDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-2-13-11-8-10-22-14(11)7-9-20(13)17(21)19-16-18-12-5-3-4-6-15(12)23-16/h3-6,8,10,13H,2,7,9H2,1H3,(H,18,19,21)/t13-/m1/s1.
What are the key properties of (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 38280106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).