2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

C15H13N5O2S3 — CID 2504682

IUPAC2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C15H13N5O2S3/c16-12(22)10-6-7-23-13(10)18-11(21)8-24-15-20-19-14(25-15)17-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,22)(H,17,19)(H,18,21)
InChIKeyXVTYENMHKUXRQS-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.17
Rot. Bonds7

About 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 2504682) has the molecular formula C15H13N5O2S3 and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
PubChem CID2504682
Molecular FormulaC15H13N5O2S3
Molecular Weight391.50 g/mol
Exact Mass391.02
IUPAC Name2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C15H13N5O2S3/c16-12(22)10-6-7-23-13(10)18-11(21)8-24-15-20-19-14(25-15)17-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,22)(H,17,19)(H,18,21)
InChIKeyXVTYENMHKUXRQS-UHFFFAOYSA-N
XLogP3.17
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2559237
2-[[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 7994260
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3424280
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 7999992
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 2487356
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 2611727
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2644921
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 8000087

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (CID 2504682) is 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is XVTYENMHKUXRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S3/c16-12(22)10-6-7-23-13(10)18-11(21)8-24-15-20-19-14(25-15)17-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,22)(H,17,19)(H,18,21).
What are the key properties of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2504682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).