N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide

C10H12N2OS — CID 131115004

IUPACN-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)cs1
InChIInChI=1S/C10H12N2OS/c1-7-4-8(5-14-7)9(13)12-10(2,3)6-11/h4-5H,1-3H3,(H,12,13)
InChIKeyTUHCRDLXTIQCML-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.09
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide

N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide (PubChem CID 131115004) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide
PubChem CID131115004
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)cs1
InChIInChI=1S/C10H12N2OS/c1-7-4-8(5-14-7)9(13)12-10(2,3)6-11/h4-5H,1-3H3,(H,12,13)
InChIKeyTUHCRDLXTIQCML-UHFFFAOYSA-N
XLogP2.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Tert-butyl-2-thiophenecarboxamide
CID 4324161
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079
Silthiofam-des(trimethylsilyl)
CID 84557985
4-Methylthiophene-2-carboxamide
CID 2795529
4-[(Diethylamino)methyl]-2-thiophenecarboxamide
CID 804148
2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide
CID 14306890
N-isopentyl-2-thiophenecarboxamide
CID 835970
2,2,5,5-tetramethyl-N-[4-(thiophene-2-carbonylamino)butyl]-1H-pyrrole-3-carboxamide
CID 14306943
N-(1-cyanobutyl)-3-ethylthiophene-2-carboxamide
CID 53556792
N-(1-cyano-3-methylbutyl)-3-ethylthiophene-2-carboxamide
CID 53576393
N-(1-cyanopropyl)-3-ethylthiophene-2-carboxamide
CID 53583998
N-[(E)-3-phenylprop-2-enoyl]thiophene-2-carboxamide
CID 70156621

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide (CID 131115004) is N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NC(C)(C)C#N)cs1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is TUHCRDLXTIQCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-4-8(5-14-7)9(13)12-10(2,3)6-11/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide?
N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 131115004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).