N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

C13H12N4O3S2 — CID 26466699

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESCc1cnc(NC(=O)CCn2nc(-c3cccs3)oc2=O)s1
InChIInChI=1S/C13H12N4O3S2/c1-8-7-14-12(22-8)15-10(18)4-5-17-13(19)20-11(16-17)9-3-2-6-21-9/h2-3,6-7H,4-5H2,1H3,(H,14,15,18)
InChIKeyGLWDQKJXMVBSIO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.36
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (PubChem CID 26466699) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
PubChem CID26466699
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESCc1cnc(NC(=O)CCn2nc(-c3cccs3)oc2=O)s1
InChIInChI=1S/C13H12N4O3S2/c1-8-7-14-12(22-8)15-10(18)4-5-17-13(19)20-11(16-17)9-3-2-6-21-9/h2-3,6-7H,4-5H2,1H3,(H,14,15,18)
InChIKeyGLWDQKJXMVBSIO-UHFFFAOYSA-N
XLogP2.36
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 18096150
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 26466645
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26954542
4-tert-butyl-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]benzohydrazide
CID 24514379
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 24514872
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 51310536
2-(2-methylphenyl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 16672334
3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94448175
2-(4-fluorophenoxy)-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]propanehydrazide
CID 24567798
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 17471969

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (CID 26466699) is N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is Cc1cnc(NC(=O)CCn2nc(-c3cccs3)oc2=O)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The InChIKey is GLWDQKJXMVBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c1-8-7-14-12(22-8)15-10(18)4-5-17-13(19)20-11(16-17)9-3-2-6-21-9/h2-3,6-7H,4-5H2,1H3,(H,14,15,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 26466699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).