5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide

C14H16N4O2S2 — CID 68835551

IUPAC5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)N(C(=O)CSc1nnc(C(N)=O)s1)c1ccccc1
InChIInChI=1S/C14H16N4O2S2/c1-9(2)18(10-6-4-3-5-7-10)11(19)8-21-14-17-16-13(22-14)12(15)20/h3-7,9H,8H2,1-2H3,(H2,15,20)
InChIKeyQDRLZZLUMVOZOH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.17
Rot. Bonds6

About 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide

5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 68835551) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID68835551
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)N(C(=O)CSc1nnc(C(N)=O)s1)c1ccccc1
InChIInChI=1S/C14H16N4O2S2/c1-9(2)18(10-6-4-3-5-7-10)11(19)8-21-14-17-16-13(22-14)12(15)20/h3-7,9H,8H2,1-2H3,(H2,15,20)
InChIKeyQDRLZZLUMVOZOH-UHFFFAOYSA-N
XLogP2.17
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 55309277
2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7891270
2-[[5-(4-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 2345573
N-(4-anilinophenyl)-N-propan-2-yl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55997802
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393
2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 79128558
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 47095379
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112815555
[(1S)-1-[4-benzyl-5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium
CID 2665634
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7273369
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide (CID 68835551) is 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide is CC(C)N(C(=O)CSc1nnc(C(N)=O)s1)c1ccccc1.
What is the InChIKey of 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QDRLZZLUMVOZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-9(2)18(10-6-4-3-5-7-10)11(19)8-21-14-17-16-13(22-14)12(15)20/h3-7,9H,8H2,1-2H3,(H2,15,20).
What are the key properties of 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide?
5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 68835551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).