3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide

C15H15N3OS2 — CID 107113057

IUPAC3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C15H15N3OS2/c1-8-4-3-5-10-12(16)14(21-13(8)10)15(19)17-6-11-9(2)18-7-20-11/h3-5,7H,6,16H2,1-2H3,(H,17,19)
InChIKeyOWNGRXQCDYORCI-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 107113057) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID107113057
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C15H15N3OS2/c1-8-4-3-5-10-12(16)14(21-13(8)10)15(19)17-6-11-9(2)18-7-20-11/h3-5,7H,6,16H2,1-2H3,(H,17,19)
InChIKeyOWNGRXQCDYORCI-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
3-amino-7-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 106383773
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
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide (CID 107113057) is 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide is Cc1ncsc1CNC(=O)c1sc2c(C)cccc2c1N.
What is the InChIKey of 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OWNGRXQCDYORCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-8-4-3-5-10-12(16)14(21-13(8)10)15(19)17-6-11-9(2)18-7-20-11/h3-5,7H,6,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107113057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).