N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

C19H22N4O3S — CID 56509049

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)n1
InChIInChI=1S/C19H22N4O3S/c1-5-16-21-17(26-22-16)10-23(4)19(24)15-11-27-18(20-15)13-6-8-14(9-7-13)25-12(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyFDQWJAFBLGJILK-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.81
Rot. Bonds7

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 56509049) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID56509049
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)n1
InChIInChI=1S/C19H22N4O3S/c1-5-16-21-17(26-22-16)10-23(4)19(24)15-11-27-18(20-15)13-6-8-14(9-7-13)25-12(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyFDQWJAFBLGJILK-UHFFFAOYSA-N
XLogP3.81
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 56509311
N-ethyl-N-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066531
5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide
CID 86888039
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18114181
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 38741594
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 56508810
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 56509049) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CCc1noc(CN(C)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FDQWJAFBLGJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-5-16-21-17(26-22-16)10-23(4)19(24)15-11-27-18(20-15)13-6-8-14(9-7-13)25-12(2)3/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56509049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).