N-(5-chlorothiophen-2-yl)formamide

C5H4ClNOS — CID 87756625

IUPACN-(5-chlorothiophen-2-yl)formamide
SMILESO=CNc1ccc(Cl)s1
InChIInChI=1S/C5H4ClNOS/c6-4-1-2-5(9-4)7-3-8/h1-3H,(H,7,8)
InChIKeyBYWCMBHMABFBSJ-UHFFFAOYSA-N
MW161.61 g/mol
LogP1.97
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)formamide

N-(5-chlorothiophen-2-yl)formamide (PubChem CID 87756625) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)formamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)formamide
PubChem CID87756625
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC NameN-(5-chlorothiophen-2-yl)formamide
SMILESO=CNc1ccc(Cl)s1
InChIInChI=1S/C5H4ClNOS/c6-4-1-2-5(9-4)7-3-8/h1-3H,(H,7,8)
InChIKeyBYWCMBHMABFBSJ-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)formamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)formamide (CID 87756625) is N-(5-chlorothiophen-2-yl)formamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)formamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)formamide is O=CNc1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)formamide?
The InChIKey is BYWCMBHMABFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c6-4-1-2-5(9-4)7-3-8/h1-3H,(H,7,8).
What are the key properties of N-(5-chlorothiophen-2-yl)formamide?
N-(5-chlorothiophen-2-yl)formamide has a molecular weight of 161.61 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)formamide is sourced from PubChem (CID 87756625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).