2-chloro-5-(methylamino)thiophene-3-carbonitrile

C6H5ClN2S — CID 153398204

IUPAC2-chloro-5-(methylamino)thiophene-3-carbonitrile
SMILESCNc1cc(C#N)c(Cl)s1
InChIInChI=1S/C6H5ClN2S/c1-9-5-2-4(3-8)6(7)10-5/h2,9H,1H3
InChIKeyXVVZJNPKZIMEJZ-UHFFFAOYSA-N
MW172.64 g/mol
LogP2.31
Rot. Bonds1

About 2-chloro-5-(methylamino)thiophene-3-carbonitrile

2-chloro-5-(methylamino)thiophene-3-carbonitrile (PubChem CID 153398204) has the molecular formula C6H5ClN2S and a molecular weight of 172.64 g/mol. Its IUPAC name is 2-chloro-5-(methylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(methylamino)thiophene-3-carbonitrile
PubChem CID153398204
Molecular FormulaC6H5ClN2S
Molecular Weight172.64 g/mol
Exact Mass171.99
IUPAC Name2-chloro-5-(methylamino)thiophene-3-carbonitrile
SMILESCNc1cc(C#N)c(Cl)s1
InChIInChI=1S/C6H5ClN2S/c1-9-5-2-4(3-8)6(7)10-5/h2,9H,1H3
InChIKeyXVVZJNPKZIMEJZ-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.64
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(methylamino)pyridine-3-carbonitrile
CID 119017816
6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196141
benzene-1,2,4,5-tetracarbonitrile
CID 12838
2-chlorothiophene-3-carbonitrile
CID 14710956
5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide
CID 146323492
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
2-(2,5-dichlorothiophen-3-yl)benzonitrile
CID 125483376
4-bromo-2-(methylamino)benzonitrile
CID 24903089
2,6-bis(methylamino)pyridine-3-carbonitrile
CID 119091298
5-chloro-2-[(1S)-1-(methylamino)ethyl]benzonitrile
CID 131209269
4-[2-chloro-6-(methylamino)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 118142084
2-(3-chloro-4-fluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
CID 116862794

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylamino)thiophene-3-carbonitrile?
The IUPAC name of 2-chloro-5-(methylamino)thiophene-3-carbonitrile (CID 153398204) is 2-chloro-5-(methylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(methylamino)thiophene-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(methylamino)thiophene-3-carbonitrile is CNc1cc(C#N)c(Cl)s1.
What is the InChIKey of 2-chloro-5-(methylamino)thiophene-3-carbonitrile?
The InChIKey is XVVZJNPKZIMEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2S/c1-9-5-2-4(3-8)6(7)10-5/h2,9H,1H3.
What are the key properties of 2-chloro-5-(methylamino)thiophene-3-carbonitrile?
2-chloro-5-(methylamino)thiophene-3-carbonitrile has a molecular weight of 172.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 153398204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).