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

C24H23N3OS3 — CID 4653790

IUPACN-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide
SMILESCN1CCc2c(sc(NC(=O)CCSc3ccccc3)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C24H23N3OS3/c1-27-13-11-17-20(15-27)31-24(22(17)23-25-18-9-5-6-10-19(18)30-23)26-21(28)12-14-29-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,26,28)
InChIKeyKUUOSXILIQOANP-UHFFFAOYSA-N
MW465.67 g/mol
LogP6.13
Rot. Bonds6

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

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide (PubChem CID 4653790) has the molecular formula C24H23N3OS3 and a molecular weight of 465.67 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]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide
PubChem CID4653790
Molecular FormulaC24H23N3OS3
Molecular Weight465.67 g/mol
Exact Mass465.10
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide
SMILESCN1CCc2c(sc(NC(=O)CCSc3ccccc3)c2-c2nc3ccccc3s2)C1
InChIInChI=1S/C24H23N3OS3/c1-27-13-11-17-20(15-27)31-24(22(17)23-25-18-9-5-6-10-19(18)30-23)26-21(28)12-14-29-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,26,28)
InChIKeyKUUOSXILIQOANP-UHFFFAOYSA-N
XLogP6.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.67
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

FAAH inhibitor 1
CID 1190414
N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]acetamide
CID 2809628
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 16830520
1-(ethanesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187404
1-(dimethylsulfamoyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187405
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187406
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)azetidine-3-carboxamide
CID 25187409
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(propane-2-sulfonyl)piperidine-4-carboxamide
CID 25188226
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)pyrrolidine-3-carboxamide
CID 25188503
N-[4-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188508

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]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide (CID 4653790) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide.
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]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide is CN1CCc2c(sc(NC(=O)CCSc3ccccc3)c2-c2nc3ccccc3s2)C1.
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]-3-phenylsulfanylpropanamide?
The InChIKey is KUUOSXILIQOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS3/c1-27-13-11-17-20(15-27)31-24(22(17)23-25-18-9-5-6-10-19(18)30-23)26-21(28)12-14-29-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,26,28).
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]-3-phenylsulfanylpropanamide?
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide has a molecular weight of 465.67 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 4653790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).