N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride

C17H19ClN2OS2 — CID 119463068

IUPACN-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C17H18N2OS2.ClH/c20-17(19-10-11-4-3-7-18-9-11)15-8-14-16(22-15)12-5-1-2-6-13(12)21-14;/h1-2,5-6,8,11,18H,3-4,7,9-10H2,(H,19,20);1H
InChIKeyVHOUXXMLMRDXEH-UHFFFAOYSA-N
MW366.94 g/mol
LogP4.27
Rot. Bonds3

About N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride

N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride (PubChem CID 119463068) has the molecular formula C17H19ClN2OS2 and a molecular weight of 366.94 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
PubChem CID119463068
Molecular FormulaC17H19ClN2OS2
Molecular Weight366.94 g/mol
Exact Mass366.06
IUPAC NameN-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C17H18N2OS2.ClH/c20-17(19-10-11-4-3-7-18-9-11)15-8-14-16(22-15)12-5-1-2-6-13(12)21-14;/h1-2,5-6,8,11,18H,3-4,7,9-10H2,(H,19,20);1H
InChIKeyVHOUXXMLMRDXEH-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-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

N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 33377513
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119460953
5-nitro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461374
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119463249
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119463278
4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
CID 71564585
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119460276

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride (CID 119463068) is N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cc2sc3ccccc3c2s1.
What is the InChIKey of N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
The InChIKey is VHOUXXMLMRDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2.ClH/c20-17(19-10-11-4-3-7-18-9-11)15-8-14-16(22-15)12-5-1-2-6-13(12)21-14;/h1-2,5-6,8,11,18H,3-4,7,9-10H2,(H,19,20);1H.
What are the key properties of N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride has a molecular weight of 366.94 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119463068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).