N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C15H17N3OS2 — CID 134699883

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCn1nc2c(c1NC(=O)c1scc3c1CCCC3)CSC2
InChIInChI=1S/C15H17N3OS2/c1-18-14(11-7-20-8-12(11)17-18)16-15(19)13-10-5-3-2-4-9(10)6-21-13/h6H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyNSBIOXAURWYGMZ-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.36
Rot. Bonds2

About N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 134699883) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID134699883
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCn1nc2c(c1NC(=O)c1scc3c1CCCC3)CSC2
InChIInChI=1S/C15H17N3OS2/c1-18-14(11-7-20-8-12(11)17-18)16-15(19)13-10-5-3-2-4-9(10)6-21-13/h6H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyNSBIOXAURWYGMZ-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
CID 127254459
5-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pyrazine-2-carboxamide
CID 134710374
4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 127254885
6-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 134705765
3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 134713578
1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
CID 53370102
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 71702166
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597007
(1R,2S,4R)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134707303
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134703354
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154913802

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 134699883) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is Cn1nc2c(c1NC(=O)c1scc3c1CCCC3)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is NSBIOXAURWYGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-18-14(11-7-20-8-12(11)17-18)16-15(19)13-10-5-3-2-4-9(10)6-21-13/h6H,2-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 319.46 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 134699883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).