3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide

C14H13N3O2S2 — CID 106383773

IUPAC3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCc3csc(=O)[nH]3)sc12
InChIInChI=1S/C14H13N3O2S2/c1-7-3-2-4-9-10(15)12(21-11(7)9)13(18)16-5-8-6-20-14(19)17-8/h2-4,6H,5,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXXKCFGPISLWJOK-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.47
Rot. Bonds3

About 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 106383773) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID106383773
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NCc3csc(=O)[nH]3)sc12
InChIInChI=1S/C14H13N3O2S2/c1-7-3-2-4-9-10(15)12(21-11(7)9)13(18)16-5-8-6-20-14(19)17-8/h2-4,6H,5,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXXKCFGPISLWJOK-UHFFFAOYSA-N
XLogP2.47
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide 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

3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113057
3-amino-7-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113004
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342964
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107323888
3-amino-7-methyl-N-(3-methylsulfonylpropyl)-1-benzothiophene-2-carboxamide
CID 107112968
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 106383418
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide (CID 106383773) is 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)NCc3csc(=O)[nH]3)sc12.
What is the InChIKey of 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is XXKCFGPISLWJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-7-3-2-4-9-10(15)12(21-11(7)9)13(18)16-5-8-6-20-14(19)17-8/h2-4,6H,5,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106383773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).