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

C15H17ClN2OS2 — CID 119629088

IUPACN-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc2sc3ccccc3c2s1.Cl
InChIInChI=1S/C15H16N2OS2.ClH/c1-15(2,16)8-17-14(18)12-7-11-13(20-12)9-5-3-4-6-10(9)19-11;/h3-7H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyQFVNHNZLFYPHOK-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.00
Rot. Bonds3

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

N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride (PubChem CID 119629088) has the molecular formula C15H17ClN2OS2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
PubChem CID119629088
Molecular FormulaC15H17ClN2OS2
Molecular Weight340.90 g/mol
Exact Mass340.05
IUPAC NameN-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc2sc3ccccc3c2s1.Cl
InChIInChI=1S/C15H16N2OS2.ClH/c1-15(2,16)8-17-14(18)12-7-11-13(20-12)9-5-3-4-6-10(9)19-11;/h3-7H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyQFVNHNZLFYPHOK-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 56691109
N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 33377513
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[3,2-b][1]benzothiole-2-carboxamide
CID 112815044
N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide
CID 24683485
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24546481
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate
CID 55424773
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 113372729
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 9091901

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride (CID 119629088) is N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1cc2sc3ccccc3c2s1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
The InChIKey is QFVNHNZLFYPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2.ClH/c1-15(2,16)8-17-14(18)12-7-11-13(20-12)9-5-3-4-6-10(9)19-11;/h3-7H,8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119629088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).