4,5-dichlorothiophene-2-carboxamide

C5H3Cl2NOS — CID 18938045

IUPAC4,5-dichlorothiophene-2-carboxamide
SMILESNC(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C5H3Cl2NOS/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H2,8,9)
InChIKeyQDTYLCLKPZSRFB-UHFFFAOYSA-N
MW196.06 g/mol
LogP2.15
Rot. Bonds1

About 4,5-dichlorothiophene-2-carboxamide

4,5-dichlorothiophene-2-carboxamide (PubChem CID 18938045) has the molecular formula C5H3Cl2NOS and a molecular weight of 196.06 g/mol. Its IUPAC name is 4,5-dichlorothiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichlorothiophene-2-carboxamide
PubChem CID18938045
Molecular FormulaC5H3Cl2NOS
Molecular Weight196.06 g/mol
Exact Mass194.93
IUPAC Name4,5-dichlorothiophene-2-carboxamide
SMILESNC(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C5H3Cl2NOS/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H2,8,9)
InChIKeyQDTYLCLKPZSRFB-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chlorothiophene-2-carboxamide
CID 5172545
3-Chloro-2-thiophenecarboxamide
CID 2808088
5-Chlorothiophene-2-carboxylic acid hydrazide
CID 2757923
5-chloro-N-methylthiophene-2-carboxamide
CID 13411287
5-Bromo-3-chlorothiophene-2-carboxamide
CID 155820779
5-Bromo-4-chloro-2-thiophenecarboxamide
CID 139022556
5-Chloro-thiophene-2-carbonyl azide
CID 12330501
5-Chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69522187
5-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
CID 81341008
4,5-dichloro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 178383824
5-Chlorothiophene-2-carbonyl isothiocyanate
CID 11019968
3,4,5-Trichlorothiophene-2-carboxamide
CID 12858640

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorothiophene-2-carboxamide?
The IUPAC name of 4,5-dichlorothiophene-2-carboxamide (CID 18938045) is 4,5-dichlorothiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichlorothiophene-2-carboxamide?
The canonical SMILES for 4,5-dichlorothiophene-2-carboxamide is NC(=O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichlorothiophene-2-carboxamide?
The InChIKey is QDTYLCLKPZSRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NOS/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H2,8,9).
What are the key properties of 4,5-dichlorothiophene-2-carboxamide?
4,5-dichlorothiophene-2-carboxamide has a molecular weight of 196.06 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorothiophene-2-carboxamide is sourced from PubChem (CID 18938045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).