5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide

C12H16BrNOS2 — CID 80600317

IUPAC5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCS2)sc1Br
InChIInChI=1S/C12H16BrNOS2/c1-8-6-10(17-11(8)13)12(15)14-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,14,15)
InChIKeyAZWLTGRYKXRJLH-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.83
Rot. Bonds3

About 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 80600317) has the molecular formula C12H16BrNOS2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide
PubChem CID80600317
Molecular FormulaC12H16BrNOS2
Molecular Weight334.30 g/mol
Exact Mass332.99
IUPAC Name5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCS2)sc1Br
InChIInChI=1S/C12H16BrNOS2/c1-8-6-10(17-11(8)13)12(15)14-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,14,15)
InChIKeyAZWLTGRYKXRJLH-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide
CID 79990416
5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97079031
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
2-bromo-5-sulfanyl-N-(thian-2-ylmethyl)benzamide
CID 107032840
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
3-bromo-5-chloro-N-(thian-2-ylmethyl)benzamide
CID 114020072
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
3-bromo-4-methoxy-N-(thian-2-ylmethyl)benzamide
CID 80600014
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79963945

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide (CID 80600317) is 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCC2CCCCS2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is AZWLTGRYKXRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS2/c1-8-6-10(17-11(8)13)12(15)14-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 80600317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).