N-[(4-methylthiadiazol-5-yl)methyl]formamide

C5H7N3OS — CID 58773022

IUPACN-[(4-methylthiadiazol-5-yl)methyl]formamide
SMILESCc1nnsc1CNC=O
InChIInChI=1S/C5H7N3OS/c1-4-5(2-6-3-9)10-8-7-4/h3H,2H2,1H3,(H,6,9)
InChIKeyRBEJXVNLBXDTIM-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.09
Rot. Bonds3

About N-[(4-methylthiadiazol-5-yl)methyl]formamide

N-[(4-methylthiadiazol-5-yl)methyl]formamide (PubChem CID 58773022) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]formamide
PubChem CID58773022
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]formamide
SMILESCc1nnsc1CNC=O
InChIInChI=1S/C5H7N3OS/c1-4-5(2-6-3-9)10-8-7-4/h3H,2H2,1H3,(H,6,9)
InChIKeyRBEJXVNLBXDTIM-UHFFFAOYSA-N
XLogP0.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methylthiadiazol-5-yl)methyl]formamide?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]formamide (CID 58773022) is N-[(4-methylthiadiazol-5-yl)methyl]formamide.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]formamide?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]formamide is Cc1nnsc1CNC=O.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]formamide?
The InChIKey is RBEJXVNLBXDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-4-5(2-6-3-9)10-8-7-4/h3H,2H2,1H3,(H,6,9).
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]formamide?
N-[(4-methylthiadiazol-5-yl)methyl]formamide has a molecular weight of 157.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]formamide is sourced from PubChem (CID 58773022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).