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

C15H15N3OS2 — CID 107932277

IUPAC3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCc3csc(C)n3)c(N)c2c1
InChIInChI=1S/C15H15N3OS2/c1-8-3-4-12-11(5-8)13(16)14(21-12)15(19)17-6-10-7-20-9(2)18-10/h3-5,7H,6,16H2,1-2H3,(H,17,19)
InChIKeyYGDCWJFTXAFSFJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.49
Rot. Bonds3

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

3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 107932277) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID107932277
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCc3csc(C)n3)c(N)c2c1
InChIInChI=1S/C15H15N3OS2/c1-8-3-4-12-11(5-8)13(16)14(21-12)15(19)17-6-10-7-20-9(2)18-10/h3-5,7H,6,16H2,1-2H3,(H,17,19)
InChIKeyYGDCWJFTXAFSFJ-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-N-[(3-bromothiophen-2-yl)methyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932455
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-5-methyl-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 107932588
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309
3-amino-5-methyl-N-(2-thiophen-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932272
3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932194

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide (CID 107932277) is 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NCc3csc(C)n3)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is YGDCWJFTXAFSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-8-3-4-12-11(5-8)13(16)14(21-12)15(19)17-6-10-7-20-9(2)18-10/h3-5,7H,6,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-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-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).