2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

C19H23N5O2S — CID 126775905

IUPAC2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)Nc1nc(-c2cccc(OC)c2)ns1
InChIInChI=1S/C19H23N5O2S/c1-5-15-14(16(6-2)24(3)22-15)11-17(25)20-19-21-18(23-27-19)12-8-7-9-13(10-12)26-4/h7-10H,5-6,11H2,1-4H3,(H,20,21,23,25)
InChIKeyQBFKVDNLDQPIGR-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.25
Rot. Bonds7

About 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 126775905) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID126775905
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)Nc1nc(-c2cccc(OC)c2)ns1
InChIInChI=1S/C19H23N5O2S/c1-5-15-14(16(6-2)24(3)22-15)11-17(25)20-19-21-18(23-27-19)12-8-7-9-13(10-12)26-4/h7-10H,5-6,11H2,1-4H3,(H,20,21,23,25)
InChIKeyQBFKVDNLDQPIGR-UHFFFAOYSA-N
XLogP3.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
CID 162444221
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 75369437
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea
CID 126766209
N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
CID 122145361
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 86819469
5-(3-methoxyphenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 175167906

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 126775905) is 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide is CCc1nn(C)c(CC)c1CC(=O)Nc1nc(-c2cccc(OC)c2)ns1.
What is the InChIKey of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is QBFKVDNLDQPIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-5-15-14(16(6-2)24(3)22-15)11-17(25)20-19-21-18(23-27-19)12-8-7-9-13(10-12)26-4/h7-10H,5-6,11H2,1-4H3,(H,20,21,23,25).
What are the key properties of 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 126775905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).