N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C14H13N5O3S2 — CID 33391806

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESNC(=O)Cc1csc(NC(=O)CCc2nc(-c3ccsc3)no2)n1
InChIInChI=1S/C14H13N5O3S2/c15-10(20)5-9-7-24-14(16-9)17-11(21)1-2-12-18-13(19-22-12)8-3-4-23-6-8/h3-4,6-7H,1-2,5H2,(H2,15,20)(H,16,17,21)
InChIKeyMKPNPLBUWSPYLE-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.85
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 33391806) has the molecular formula C14H13N5O3S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID33391806
Molecular FormulaC14H13N5O3S2
Molecular Weight363.42 g/mol
Exact Mass363.05
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESNC(=O)Cc1csc(NC(=O)CCc2nc(-c3ccsc3)no2)n1
InChIInChI=1S/C14H13N5O3S2/c15-10(20)5-9-7-24-14(16-9)17-11(21)1-2-12-18-13(19-22-12)8-3-4-23-6-8/h3-4,6-7H,1-2,5H2,(H2,15,20)(H,16,17,21)
InChIKeyMKPNPLBUWSPYLE-UHFFFAOYSA-N
XLogP1.85
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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CID 17486628
N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17450335
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 27298651
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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ethyl 2-[2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18209830
N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 33391806) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is NC(=O)Cc1csc(NC(=O)CCc2nc(-c3ccsc3)no2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MKPNPLBUWSPYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S2/c15-10(20)5-9-7-24-14(16-9)17-11(21)1-2-12-18-13(19-22-12)8-3-4-23-6-8/h3-4,6-7H,1-2,5H2,(H2,15,20)(H,16,17,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 363.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 33391806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).