N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide

C19H22N4O3S2 — CID 97262337

IUPACN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide
SMILESCOc1cccc(-c2noc(SCC(=O)N(C)[C@H](C)c3sc(C)nc3C)n2)c1
InChIInChI=1S/C19H22N4O3S2/c1-11-17(28-13(3)20-11)12(2)23(4)16(24)10-27-19-21-18(22-26-19)14-7-6-8-15(9-14)25-5/h6-9,12H,10H2,1-5H3/t12-/m1/s1
InChIKeyIENVFGGJBPLBEL-GFCCVEGCSA-N
MW418.54 g/mol
LogP4.13
Rot. Bonds7

About N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide (PubChem CID 97262337) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide
PubChem CID97262337
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide
SMILESCOc1cccc(-c2noc(SCC(=O)N(C)[C@H](C)c3sc(C)nc3C)n2)c1
InChIInChI=1S/C19H22N4O3S2/c1-11-17(28-13(3)20-11)12(2)23(4)16(24)10-27-19-21-18(22-26-19)14-7-6-8-15(9-14)25-5/h6-9,12H,10H2,1-5H3/t12-/m1/s1
InChIKeyIENVFGGJBPLBEL-GFCCVEGCSA-N
XLogP4.13
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide (CID 97262337) is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide is COc1cccc(-c2noc(SCC(=O)N(C)[C@H](C)c3sc(C)nc3C)n2)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide?
The InChIKey is IENVFGGJBPLBEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-11-17(28-13(3)20-11)12(2)23(4)16(24)10-27-19-21-18(22-26-19)14-7-6-8-15(9-14)25-5/h6-9,12H,10H2,1-5H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide?
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide has a molecular weight of 418.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 97262337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).