N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H16F2N4O2S — CID 39033570

IUPACN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)n1
InChIInChI=1S/C17H16F2N4O2S/c1-9(2)16-22-14(25-23-16)7-6-13(24)21-17-20-12(8-26-17)15-10(18)4-3-5-11(15)19/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,24)
InChIKeyGJOLATCLGGIWES-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.17
Rot. Bonds6

About N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 39033570) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID39033570
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)c1noc(CCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)n1
InChIInChI=1S/C17H16F2N4O2S/c1-9(2)16-22-14(25-23-16)7-6-13(24)21-17-20-12(8-26-17)15-10(18)4-3-5-11(15)19/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,24)
InChIKeyGJOLATCLGGIWES-UHFFFAOYSA-N
XLogP4.17
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55664148
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CID 39038759
N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112820353
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 38430142
2-[2-fluoro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]acetic acid
CID 122110181
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CID 24596906
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051072
N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39945984
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38817806

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 39033570) is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)c1noc(CCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)n1.
What is the InChIKey of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GJOLATCLGGIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-9(2)16-22-14(25-23-16)7-6-13(24)21-17-20-12(8-26-17)15-10(18)4-3-5-11(15)19/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,24).
What are the key properties of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 378.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 39033570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).