2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C12H10F3N5O2S2 — CID 2460687

IUPAC2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESNc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C12H10F3N5O2S2/c13-5-1-2-6(10(15)9(5)14)18-7(21)3-17-8(22)4-23-12-20-19-11(16)24-12/h1-2H,3-4H2,(H2,16,19)(H,17,22)(H,18,21)
InChIKeyQYAPJAOUYYVUKP-UHFFFAOYSA-N
MW377.37 g/mol
LogP1.38
Rot. Bonds6

About 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2460687) has the molecular formula C12H10F3N5O2S2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2460687
Molecular FormulaC12H10F3N5O2S2
Molecular Weight377.37 g/mol
Exact Mass377.02
IUPAC Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESNc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C12H10F3N5O2S2/c13-5-1-2-6(10(15)9(5)14)18-7(21)3-17-8(22)4-23-12-20-19-11(16)24-12/h1-2H,3-4H2,(H2,16,19)(H,17,22)(H,18,21)
InChIKeyQYAPJAOUYYVUKP-UHFFFAOYSA-N
XLogP1.38
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-acetamide
CID 1937572
N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 2477045
N-(4-fluorophenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501872
N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2584876
1-(4-Fluorophenyl)-3-(5-{[2-oxo-2-(piperidin-1-YL)ethyl]sulfanyl}-1,3,4-thiadiazol-2-YL)urea
CID 7385221
N-methyl-2-[[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7385462
N-(4-fluorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 8303052
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-(3-fluorophenyl)acetamide
CID 754406
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2101679
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2460900
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2644916

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2460687) is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is Nc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)s1.
What is the InChIKey of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QYAPJAOUYYVUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2S2/c13-5-1-2-6(10(15)9(5)14)18-7(21)3-17-8(22)4-23-12-20-19-11(16)24-12/h1-2H,3-4H2,(H2,16,19)(H,17,22)(H,18,21).
What are the key properties of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 377.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2460687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).