N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride

C17H17ClN4O2S2 — CID 16813895

IUPACN-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(N)=O)C1.Cl
InChIInChI=1S/C17H16N4O2S2.ClH/c1-21-7-6-9-12(8-21)25-16(13(9)14(18)22)20-15(23)17-19-10-4-2-3-5-11(10)24-17;/h2-5H,6-8H2,1H3,(H2,18,22)(H,20,23);1H
InChIKeyXZGDYPUWACHEND-UHFFFAOYSA-N
MW408.94 g/mol
LogP3.12
Rot. Bonds3

About N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride

N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride (PubChem CID 16813895) has the molecular formula C17H17ClN4O2S2 and a molecular weight of 408.94 g/mol. Its IUPAC name is N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride
PubChem CID16813895
Molecular FormulaC17H17ClN4O2S2
Molecular Weight408.94 g/mol
Exact Mass408.05
IUPAC NameN-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(N)=O)C1.Cl
InChIInChI=1S/C17H16N4O2S2.ClH/c1-21-7-6-9-12(8-21)25-16(13(9)14(18)22)20-15(23)17-19-10-4-2-3-5-11(10)24-17;/h2-5H,6-8H2,1H3,(H2,18,22)(H,20,23);1H
InChIKeyXZGDYPUWACHEND-UHFFFAOYSA-N
XLogP3.12
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.94
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(1,3-benzothiazole-2-carbonylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 18580097
2-[(4-fluorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4120098
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16847602
2-[(3,5-dichlorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4091163
N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 71778335
2-(1,3-benzothiazole-2-carbonylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7163921
6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3293195
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806228
6-methyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4231286
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate
CID 44917872
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]carbamate
CID 7521531
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

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride (CID 16813895) is N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride is CN1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(N)=O)C1.Cl.
What is the InChIKey of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
The InChIKey is XZGDYPUWACHEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2.ClH/c1-21-7-6-9-12(8-21)25-16(13(9)14(18)22)20-15(23)17-19-10-4-2-3-5-11(10)24-17;/h2-5H,6-8H2,1H3,(H2,18,22)(H,20,23);1H.
What are the key properties of N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride has a molecular weight of 408.94 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 16813895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).