N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide

C14H14N4O3S2 — CID 95791882

IUPACN-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cscn1
InChIInChI=1S/C14H14N4O3S2/c1-2-9(16-12(19)10-7-22-8-15-10)6-18-14(20)21-13(17-18)11-4-3-5-23-11/h3-5,7-9H,2,6H2,1H3,(H,16,19)/t9-/m0/s1
InChIKeyNGCYYSCLKRGTKX-VIFPVBQESA-N
MW350.43 g/mol
LogP2.23
Rot. Bonds6

About N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide

N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 95791882) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID95791882
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC NameN-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cscn1
InChIInChI=1S/C14H14N4O3S2/c1-2-9(16-12(19)10-7-22-8-15-10)6-18-14(20)21-13(17-18)11-4-3-5-23-11/h3-5,7-9H,2,6H2,1H3,(H,16,19)/t9-/m0/s1
InChIKeyNGCYYSCLKRGTKX-VIFPVBQESA-N
XLogP2.23
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
CID 95791881
1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide
CID 16671716
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 95849400
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 119033318
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40790864
ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
CID 16671800
N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26466699

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide (CID 95791882) is N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide is CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cscn1.
What is the InChIKey of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is NGCYYSCLKRGTKX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-2-9(16-12(19)10-7-22-8-15-10)6-18-14(20)21-13(17-18)11-4-3-5-23-11/h3-5,7-9H,2,6H2,1H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95791882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).