5-chloro-N-cyanothiophene-2-carboxamide

C6H3ClN2OS — CID 79194794

IUPAC5-chloro-N-cyanothiophene-2-carboxamide
SMILESN#CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H3ClN2OS/c7-5-2-1-4(11-5)6(10)9-3-8/h1-2H,(H,9,10)
InChIKeyYXKQWLLDEXXFCE-UHFFFAOYSA-N
MW186.62 g/mol
LogP1.61
Rot. Bonds1

About 5-chloro-N-cyanothiophene-2-carboxamide

5-chloro-N-cyanothiophene-2-carboxamide (PubChem CID 79194794) has the molecular formula C6H3ClN2OS and a molecular weight of 186.62 g/mol. Its IUPAC name is 5-chloro-N-cyanothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyanothiophene-2-carboxamide
PubChem CID79194794
Molecular FormulaC6H3ClN2OS
Molecular Weight186.62 g/mol
Exact Mass185.97
IUPAC Name5-chloro-N-cyanothiophene-2-carboxamide
SMILESN#CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H3ClN2OS/c7-5-2-1-4(11-5)6(10)9-3-8/h1-2H,(H,9,10)
InChIKeyYXKQWLLDEXXFCE-UHFFFAOYSA-N
XLogP1.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
CID 63941006
3-(5-chlorothiophen-2-yl)-N-cyanoprop-2-enamide
CID 79194152
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
2,5-dichloro-N-cyanothiophene-3-carboxamide
CID 107963413
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
5-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 55037313
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
2-(5-chlorothiophen-2-yl)prop-2-enenitrile
CID 82074781
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
1-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carbonitrile
CID 116920817
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyanothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-cyanothiophene-2-carboxamide (CID 79194794) is 5-chloro-N-cyanothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyanothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyanothiophene-2-carboxamide is N#CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-cyanothiophene-2-carboxamide?
The InChIKey is YXKQWLLDEXXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS/c7-5-2-1-4(11-5)6(10)9-3-8/h1-2H,(H,9,10).
What are the key properties of 5-chloro-N-cyanothiophene-2-carboxamide?
5-chloro-N-cyanothiophene-2-carboxamide has a molecular weight of 186.62 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyanothiophene-2-carboxamide is sourced from PubChem (CID 79194794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).