3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide

C14H14N4O2S — CID 81301403

IUPAC3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)Nc3ccn(C)n3)sc2c1
InChIInChI=1S/C14H14N4O2S/c1-18-6-5-11(17-18)16-14(19)13-12(15)9-4-3-8(20-2)7-10(9)21-13/h3-7H,15H2,1-2H3,(H,16,17,19)
InChIKeyGQVBPVQGDOPLGW-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide

3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 81301403) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID81301403
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)Nc3ccn(C)n3)sc2c1
InChIInChI=1S/C14H14N4O2S/c1-18-6-5-11(17-18)16-14(19)13-12(15)9-4-3-8(20-2)7-10(9)21-13/h3-7H,15H2,1-2H3,(H,16,17,19)
InChIKeyGQVBPVQGDOPLGW-UHFFFAOYSA-N
XLogP2.48
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1-methylpyrazol-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289415
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
3-amino-N-but-3-yn-2-yl-6-methoxy-1-benzothiophene-2-carboxamide
CID 114420596
3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81309556
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301247
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301246
2-amino-4-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794451
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674329
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326
3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 81301548

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide (CID 81301403) is 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide is COc1ccc2c(N)c(C(=O)Nc3ccn(C)n3)sc2c1.
What is the InChIKey of 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is GQVBPVQGDOPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-18-6-5-11(17-18)16-14(19)13-12(15)9-4-3-8(20-2)7-10(9)21-13/h3-7H,15H2,1-2H3,(H,16,17,19).
What are the key properties of 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81301403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).