N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide

C9H11N3OS2 — CID 154866943

IUPACN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)ns1)C1CSC1
InChIInChI=1S/C9H11N3OS2/c13-8(6-3-14-4-6)11-9-10-7(12-15-9)5-1-2-5/h5-6H,1-4H2,(H,10,11,12,13)
InChIKeyHTVMKZACZUPROG-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.72
Rot. Bonds3

About N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide

N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide (PubChem CID 154866943) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide
PubChem CID154866943
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)ns1)C1CSC1
InChIInChI=1S/C9H11N3OS2/c13-8(6-3-14-4-6)11-9-10-7(12-15-9)5-1-2-5/h5-6H,1-4H2,(H,10,11,12,13)
InChIKeyHTVMKZACZUPROG-UHFFFAOYSA-N
XLogP1.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide
CID 167939813
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 166245439
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea
CID 154847218
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 166262534
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 154869840
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
CID 166244060
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 166244061

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide (CID 154866943) is N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide is O=C(Nc1nc(C2CC2)ns1)C1CSC1.
What is the InChIKey of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide?
The InChIKey is HTVMKZACZUPROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c13-8(6-3-14-4-6)11-9-10-7(12-15-9)5-1-2-5/h5-6H,1-4H2,(H,10,11,12,13).
What are the key properties of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide?
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide has a molecular weight of 241.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thietane-3-carboxamide is sourced from PubChem (CID 154866943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).