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

C6H7NOS — CID 58762050

IUPACN-(5-methylthiophen-2-yl)formamide
SMILESCc1ccc(NC=O)s1
InChIInChI=1S/C6H7NOS/c1-5-2-3-6(9-5)7-4-8/h2-4H,1H3,(H,7,8)
InChIKeyITBOVHFPNYYGFH-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.62
Rot. Bonds2

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

N-(5-methylthiophen-2-yl)formamide (PubChem CID 58762050) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is N-(5-methylthiophen-2-yl)formamide.

Molecular Properties

Compound NameN-(5-methylthiophen-2-yl)formamide
PubChem CID58762050
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC NameN-(5-methylthiophen-2-yl)formamide
SMILESCc1ccc(NC=O)s1
InChIInChI=1S/C6H7NOS/c1-5-2-3-6(9-5)7-4-8/h2-4H,1H3,(H,7,8)
InChIKeyITBOVHFPNYYGFH-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.62
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-methylthiophen-2-yl)formamide?
The IUPAC name of N-(5-methylthiophen-2-yl)formamide (CID 58762050) is N-(5-methylthiophen-2-yl)formamide.
What is the SMILES notation for N-(5-methylthiophen-2-yl)formamide?
The canonical SMILES for N-(5-methylthiophen-2-yl)formamide is Cc1ccc(NC=O)s1.
What is the InChIKey of N-(5-methylthiophen-2-yl)formamide?
The InChIKey is ITBOVHFPNYYGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-5-2-3-6(9-5)7-4-8/h2-4H,1H3,(H,7,8).
What are the key properties of N-(5-methylthiophen-2-yl)formamide?
N-(5-methylthiophen-2-yl)formamide has a molecular weight of 141.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiophen-2-yl)formamide is sourced from PubChem (CID 58762050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).