3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide

C18H20N4O4S — CID 90572102

IUPAC3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2csc(-n3cccn3)n2)cc(OC)c1OC
InChIInChI=1S/C18H20N4O4S/c1-24-14-9-12(10-15(25-2)16(14)26-3)17(23)19-7-5-13-11-27-18(21-13)22-8-4-6-20-22/h4,6,8-11H,5,7H2,1-3H3,(H,19,23)
InChIKeyGVZWKRWQTCPXKU-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.33
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide

3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 90572102) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID90572102
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2csc(-n3cccn3)n2)cc(OC)c1OC
InChIInChI=1S/C18H20N4O4S/c1-24-14-9-12(10-15(25-2)16(14)26-3)17(23)19-7-5-13-11-27-18(21-13)22-8-4-6-20-22/h4,6,8-11H,5,7H2,1-3H3,(H,19,23)
InChIKeyGVZWKRWQTCPXKU-UHFFFAOYSA-N
XLogP2.33
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 71802228
2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572150
2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572291
2-ethylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572185
2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572154
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267
1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 90572226
5-chloro-2-nitro-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572124

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 90572102) is 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide is COc1cc(C(=O)NCCc2csc(-n3cccn3)n2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is GVZWKRWQTCPXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-24-14-9-12(10-15(25-2)16(14)26-3)17(23)19-7-5-13-11-27-18(21-13)22-8-4-6-20-22/h4,6,8-11H,5,7H2,1-3H3,(H,19,23).
What are the key properties of 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 388.45 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 90572102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).