4-amino-5-chlorothiophene-2-carbonitrile

C5H3ClN2S — CID 82415710

IUPAC4-amino-5-chlorothiophene-2-carbonitrile
SMILESN#Cc1cc(N)c(Cl)s1
InChIInChI=1S/C5H3ClN2S/c6-5-4(8)1-3(2-7)9-5/h1H,8H2
InChIKeyIDEFOLQXTCGCGU-UHFFFAOYSA-N
MW158.61 g/mol
LogP1.86
Rot. Bonds

About 4-amino-5-chlorothiophene-2-carbonitrile

4-amino-5-chlorothiophene-2-carbonitrile (PubChem CID 82415710) has the molecular formula C5H3ClN2S and a molecular weight of 158.61 g/mol. Its IUPAC name is 4-amino-5-chlorothiophene-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-chlorothiophene-2-carbonitrile
PubChem CID82415710
Molecular FormulaC5H3ClN2S
Molecular Weight158.61 g/mol
Exact Mass157.97
IUPAC Name4-amino-5-chlorothiophene-2-carbonitrile
SMILESN#Cc1cc(N)c(Cl)s1
InChIInChI=1S/C5H3ClN2S/c6-5-4(8)1-3(2-7)9-5/h1H,8H2
InChIKeyIDEFOLQXTCGCGU-UHFFFAOYSA-N
XLogP1.86
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chlorothiophene-2-carbonitrile?
The IUPAC name of 4-amino-5-chlorothiophene-2-carbonitrile (CID 82415710) is 4-amino-5-chlorothiophene-2-carbonitrile.
What is the SMILES notation for 4-amino-5-chlorothiophene-2-carbonitrile?
The canonical SMILES for 4-amino-5-chlorothiophene-2-carbonitrile is N#Cc1cc(N)c(Cl)s1.
What is the InChIKey of 4-amino-5-chlorothiophene-2-carbonitrile?
The InChIKey is IDEFOLQXTCGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2S/c6-5-4(8)1-3(2-7)9-5/h1H,8H2.
What are the key properties of 4-amino-5-chlorothiophene-2-carbonitrile?
4-amino-5-chlorothiophene-2-carbonitrile has a molecular weight of 158.61 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chlorothiophene-2-carbonitrile is sourced from PubChem (CID 82415710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).