2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

C15H19N5O2S2 — CID 8848906

IUPAC2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C15H19N5O2S2/c1-10(2)17-12(21)8-16-13(22)9-23-15-20-19-14(24-15)18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H,17,21)(H,18,19)
InChIKeyGCTULJQQRBOGQW-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.01
Rot. Bonds8

About 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 8848906) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID8848906
Molecular FormulaC15H19N5O2S2
Molecular Weight365.48 g/mol
Exact Mass365.10
IUPAC Name2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C15H19N5O2S2/c1-10(2)17-12(21)8-16-13(22)9-23-15-20-19-14(24-15)18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H,17,21)(H,18,19)
InChIKeyGCTULJQQRBOGQW-UHFFFAOYSA-N
XLogP2.01
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
methyl 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetate
CID 7999811
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 97087051
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2644921
2-[[2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 8542146
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 2107152
methyl (2S,3R)-2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylpentanoate
CID 8848874
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55525163
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 8000087
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis[(2R)-butan-2-yl]acetamide
CID 8848834
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7378209
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 2487356

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (CID 8848906) is 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)CSc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is GCTULJQQRBOGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c1-10(2)17-12(21)8-16-13(22)9-23-15-20-19-14(24-15)18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H,17,21)(H,18,19).
What are the key properties of 2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 8848906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).