N-[(5-methylthiophen-3-yl)methyl]formamide

C7H9NOS — CID 127006311

IUPACN-[(5-methylthiophen-3-yl)methyl]formamide
SMILESCc1cc(CNC=O)cs1
InChIInChI=1S/C7H9NOS/c1-6-2-7(4-10-6)3-8-5-9/h2,4-5H,3H2,1H3,(H,8,9)
InChIKeyAKPPVTQXGZZFLN-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.30
Rot. Bonds3

About N-[(5-methylthiophen-3-yl)methyl]formamide

N-[(5-methylthiophen-3-yl)methyl]formamide (PubChem CID 127006311) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)methyl]formamide
PubChem CID127006311
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC NameN-[(5-methylthiophen-3-yl)methyl]formamide
SMILESCc1cc(CNC=O)cs1
InChIInChI=1S/C7H9NOS/c1-6-2-7(4-10-6)3-8-5-9/h2,4-5H,3H2,1H3,(H,8,9)
InChIKeyAKPPVTQXGZZFLN-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5-methylthiophen-3-yl)methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methylthiophen-3-yl)methylamino]acetonitrile
CID 127006290
2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104473
1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine
CID 127006298
ethane;4-ethyl-2-methylthiophene
CID 143587755
N-methyl-1-(5-methylthiophen-3-yl)methanesulfonamide
CID 167065312
methyl 2-(5-methylthiophen-3-yl)acetate
CID 70418806
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 65104535
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine
CID 131160728
4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine
CID 130993198
N-benzylformamide
CID 139060556

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)methyl]formamide?
The IUPAC name of N-[(5-methylthiophen-3-yl)methyl]formamide (CID 127006311) is N-[(5-methylthiophen-3-yl)methyl]formamide.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)methyl]formamide?
The canonical SMILES for N-[(5-methylthiophen-3-yl)methyl]formamide is Cc1cc(CNC=O)cs1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)methyl]formamide?
The InChIKey is AKPPVTQXGZZFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-6-2-7(4-10-6)3-8-5-9/h2,4-5H,3H2,1H3,(H,8,9).
What are the key properties of N-[(5-methylthiophen-3-yl)methyl]formamide?
N-[(5-methylthiophen-3-yl)methyl]formamide has a molecular weight of 155.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)methyl]formamide is sourced from PubChem (CID 127006311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).