4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide

C10H10N4O2S — CID 31265446

IUPAC4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C10H10N4O2S/c1-5(15)7-3-8(11-4-7)9(16)12-10-14-13-6(2)17-10/h3-4,11H,1-2H3,(H,12,14,16)
InChIKeyIRWSECXWDDNUMY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.63
Rot. Bonds3

About 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 31265446) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID31265446
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C10H10N4O2S/c1-5(15)7-3-8(11-4-7)9(16)12-10-14-13-6(2)17-10/h3-4,11H,1-2H3,(H,12,14,16)
InChIKeyIRWSECXWDDNUMY-UHFFFAOYSA-N
XLogP1.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide (CID 31265446) is 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2nnc(C)s2)c1.
What is the InChIKey of 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is IRWSECXWDDNUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-5(15)7-3-8(11-4-7)9(16)12-10-14-13-6(2)17-10/h3-4,11H,1-2H3,(H,12,14,16).
What are the key properties of 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31265446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).