2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide

C14H12N4O3S2 — CID 152716425

IUPAC2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)s1
InChIInChI=1S/C14H12N4O3S2/c15-23(19,20)11-7-16-14(22-11)10-6-9(10)13-17-12(18-21-13)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H2,15,19,20)/t9-,10-/m1/s1
InChIKeyZURYJDDVGAOKKK-NXEZZACHSA-N
MW348.41 g/mol
LogP2.11
Rot. Bonds4

About 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide

2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide (PubChem CID 152716425) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide
PubChem CID152716425
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)s1
InChIInChI=1S/C14H12N4O3S2/c15-23(19,20)11-7-16-14(22-11)10-6-9(10)13-17-12(18-21-13)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H2,15,19,20)/t9-,10-/m1/s1
InChIKeyZURYJDDVGAOKKK-NXEZZACHSA-N
XLogP2.11
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide
CID 151827727
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide
CID 138496378
4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448621
4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)spiro[2.4]heptan-1-yl]benzenesulfonamide
CID 130448721
4-[(1S,3S)-2,2-dichloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448259
2-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]-1,3-thiazole-5-sulfonamide
CID 150236005
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578640
3-pyridin-4-yl-5-(8-thiophen-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 171148653
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide (CID 152716425) is 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)s1.
What is the InChIKey of 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZURYJDDVGAOKKK-NXEZZACHSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c15-23(19,20)11-7-16-14(22-11)10-6-9(10)13-17-12(18-21-13)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H2,15,19,20)/t9-,10-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide?
2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 348.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 152716425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).