3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide

C10H14F2N4O2S2 — CID 154797726

IUPAC3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide
SMILESCCCSc1nsc(NC(=O)N2CC(OC(F)F)C2)n1
InChIInChI=1S/C10H14F2N4O2S2/c1-2-3-19-9-13-8(20-15-9)14-10(17)16-4-6(5-16)18-7(11)12/h6-7H,2-5H2,1H3,(H,13,14,15,17)
InChIKeyRMPYQZIVEAYKLQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.50
Rot. Bonds6

About 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide

3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide (PubChem CID 154797726) has the molecular formula C10H14F2N4O2S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide
PubChem CID154797726
Molecular FormulaC10H14F2N4O2S2
Molecular Weight324.38 g/mol
Exact Mass324.05
IUPAC Name3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide
SMILESCCCSc1nsc(NC(=O)N2CC(OC(F)F)C2)n1
InChIInChI=1S/C10H14F2N4O2S2/c1-2-3-19-9-13-8(20-15-9)14-10(17)16-4-6(5-16)18-7(11)12/h6-7H,2-5H2,1H3,(H,13,14,15,17)
InChIKeyRMPYQZIVEAYKLQ-UHFFFAOYSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 63282354
(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 130612870
2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid
CID 43466001
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-propan-2-ylamino]acetic acid
CID 60839634
3-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylbutanoic acid
CID 105354041
2-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 81227681
2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62672812
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62021174
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 65463198
2-methyl-2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]propanoic acid
CID 62820361
2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 66214373

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide (CID 154797726) is 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide is CCCSc1nsc(NC(=O)N2CC(OC(F)F)C2)n1.
What is the InChIKey of 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide?
The InChIKey is RMPYQZIVEAYKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2S2/c1-2-3-19-9-13-8(20-15-9)14-10(17)16-4-6(5-16)18-7(11)12/h6-7H,2-5H2,1H3,(H,13,14,15,17).
What are the key properties of 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide?
3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 154797726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).