1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide

C11H12N4O2S3 — CID 2665605

IUPAC1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide
SMILESCSc1nnc(SCC(=O)NC(=O)c2cccn2C)s1
InChIInChI=1S/C11H12N4O2S3/c1-15-5-3-4-7(15)9(17)12-8(16)6-19-11-14-13-10(18-2)20-11/h3-5H,6H2,1-2H3,(H,12,16,17)
InChIKeyGHIYQZLYBMONIB-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.65
Rot. Bonds5

About 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide

1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide (PubChem CID 2665605) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide
PubChem CID2665605
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC Name1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide
SMILESCSc1nnc(SCC(=O)NC(=O)c2cccn2C)s1
InChIInChI=1S/C11H12N4O2S3/c1-15-5-3-4-7(15)9(17)12-8(16)6-19-11-14-13-10(18-2)20-11/h3-5H,6H2,1-2H3,(H,12,16,17)
InChIKeyGHIYQZLYBMONIB-UHFFFAOYSA-N
XLogP1.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 43304252
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820378
N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]-1-methylpyrrole-2-carboxamide
CID 66135920
N-(2,5-dimethylpyrazol-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46672676
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 51140519
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 55525095
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2670694
N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668225
N-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507443
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 2668654

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide (CID 2665605) is 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide is CSc1nnc(SCC(=O)NC(=O)c2cccn2C)s1.
What is the InChIKey of 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide?
The InChIKey is GHIYQZLYBMONIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c1-15-5-3-4-7(15)9(17)12-8(16)6-19-11-14-13-10(18-2)20-11/h3-5H,6H2,1-2H3,(H,12,16,17).
What are the key properties of 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide?
1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrole-2-carboxamide is sourced from PubChem (CID 2665605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).