N,N,4-trimethylthiophene-3-carboxamide

C8H11NOS — CID 79778068

IUPACN,N,4-trimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C
InChIInChI=1S/C8H11NOS/c1-6-4-11-5-7(6)8(10)9(2)3/h4-5H,1-3H3
InChIKeyFHOOJBMBOHIIDD-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.76
Rot. Bonds1

About N,N,4-trimethylthiophene-3-carboxamide

N,N,4-trimethylthiophene-3-carboxamide (PubChem CID 79778068) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N,N,4-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethylthiophene-3-carboxamide
PubChem CID79778068
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN,N,4-trimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C
InChIInChI=1S/C8H11NOS/c1-6-4-11-5-7(6)8(10)9(2)3/h4-5H,1-3H3
InChIKeyFHOOJBMBOHIIDD-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylthiophene-3-carboxamide
CID 819553
Pyrrolidin-1-yl(thiophen-3-yl)methanone
CID 12926531
N,N-Dimethylthiophene-3-carboxamide
CID 13305450
N,N-diethylthiophene-3-carboxamide
CID 11389776
4-Methylthiophene-3-carboxamide
CID 18938129
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-3-ylmethanone
CID 71909558
4-fluoro-N,N-dimethylthiophene-3-carboxamide
CID 176240977
N-tert-butyl-N-(3-methylbut-2-enyl)thiophene-3-carboxamide
CID 86016929
N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide
CID 86016933
N-[(E)-but-2-enyl]-N-tert-butylthiophene-3-carboxamide
CID 101363653
N,N-diethyl-2-iodothiophene-3-carboxamide
CID 134967126
N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865563

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylthiophene-3-carboxamide?
The IUPAC name of N,N,4-trimethylthiophene-3-carboxamide (CID 79778068) is N,N,4-trimethylthiophene-3-carboxamide.
What is the SMILES notation for N,N,4-trimethylthiophene-3-carboxamide?
The canonical SMILES for N,N,4-trimethylthiophene-3-carboxamide is Cc1cscc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethylthiophene-3-carboxamide?
The InChIKey is FHOOJBMBOHIIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6-4-11-5-7(6)8(10)9(2)3/h4-5H,1-3H3.
What are the key properties of N,N,4-trimethylthiophene-3-carboxamide?
N,N,4-trimethylthiophene-3-carboxamide has a molecular weight of 169.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 79778068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).