2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile

C10H8N2S2 — CID 71565212

IUPAC2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc(N)c2C#N)s1
InChIInChI=1S/C10H8N2S2/c1-6-2-3-9(14-6)8-5-13-10(12)7(8)4-11/h2-3,5H,12H2,1H3
InChIKeyXOTFPQDDJSPCBD-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.24
Rot. Bonds1

About 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile

2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile (PubChem CID 71565212) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
PubChem CID71565212
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc(N)c2C#N)s1
InChIInChI=1S/C10H8N2S2/c1-6-2-3-9(14-6)8-5-13-10(12)7(8)4-11/h2-3,5H,12H2,1H3
InChIKeyXOTFPQDDJSPCBD-UHFFFAOYSA-N
XLogP3.24
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile
CID 71565192
3-amino-4-(5-methylthiophen-2-yl)benzonitrile
CID 78965507
2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile
CID 141275983
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3517163
2-amino-4-(2,4-dichlorophenyl)thiophene-3-carbonitrile
CID 672395
2-(5-methylthiophen-2-yl)aniline
CID 13413493
2-amino-4-methoxythiophene-3-carbonitrile
CID 22902760
4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656648
5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009904
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62502736
6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656656

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile (CID 71565212) is 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile is Cc1ccc(-c2csc(N)c2C#N)s1.
What is the InChIKey of 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile?
The InChIKey is XOTFPQDDJSPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c1-6-2-3-9(14-6)8-5-13-10(12)7(8)4-11/h2-3,5H,12H2,1H3.
What are the key properties of 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile?
2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 71565212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).