2-propan-2-ylthiophene-3-carboxamide

C8H11NOS — CID 69376798

IUPAC2-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1sccc1C(N)=O
InChIInChI=1S/C8H11NOS/c1-5(2)7-6(8(9)10)3-4-11-7/h3-5H,1-2H3,(H2,9,10)
InChIKeyXWAAGUDFKYQGMV-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.97
Rot. Bonds2

About 2-propan-2-ylthiophene-3-carboxamide

2-propan-2-ylthiophene-3-carboxamide (PubChem CID 69376798) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-propan-2-ylthiophene-3-carboxamide
PubChem CID69376798
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1sccc1C(N)=O
InChIInChI=1S/C8H11NOS/c1-5(2)7-6(8(9)10)3-4-11-7/h3-5H,1-2H3,(H2,9,10)
InChIKeyXWAAGUDFKYQGMV-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen
CID 161366423
2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
CID 154602976
2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide
CID 140662539
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
(2-propan-2-ylthiophen-3-yl)boronic acid
CID 140787974
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
CID 9445948
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248820

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-propan-2-ylthiophene-3-carboxamide (CID 69376798) is 2-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-propan-2-ylthiophene-3-carboxamide is CC(C)c1sccc1C(N)=O.
What is the InChIKey of 2-propan-2-ylthiophene-3-carboxamide?
The InChIKey is XWAAGUDFKYQGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5(2)7-6(8(9)10)3-4-11-7/h3-5H,1-2H3,(H2,9,10).
What are the key properties of 2-propan-2-ylthiophene-3-carboxamide?
2-propan-2-ylthiophene-3-carboxamide has a molecular weight of 169.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 69376798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).