4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide

C8H9N5OS — CID 167770872

IUPAC4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1nnnn1C
InChIInChI=1S/C8H9N5OS/c1-5-3-15-4-6(5)7(14)9-8-10-11-12-13(8)2/h3-4H,1-2H3,(H,9,10,12,14)
InChIKeyZOZMVNNESUGXKB-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.83
Rot. Bonds2

About 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide

4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide (PubChem CID 167770872) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
PubChem CID167770872
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1nnnn1C
InChIInChI=1S/C8H9N5OS/c1-5-3-15-4-6(5)7(14)9-8-10-11-12-13(8)2/h3-4H,1-2H3,(H,9,10,12,14)
InChIKeyZOZMVNNESUGXKB-UHFFFAOYSA-N
XLogP0.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide (CID 167770872) is 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide is Cc1cscc1C(=O)Nc1nnnn1C.
What is the InChIKey of 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide?
The InChIKey is ZOZMVNNESUGXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-3-15-4-6(5)7(14)9-8-10-11-12-13(8)2/h3-4H,1-2H3,(H,9,10,12,14).
What are the key properties of 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide?
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 167770872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).