2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide

C19H23N5OS — CID 72901164

IUPAC2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCc1ccc(Cn2nc(CC(N)=O)nc2CCc2scnc2C)cc1
InChIInChI=1S/C19H23N5OS/c1-3-14-4-6-15(7-5-14)11-24-19(22-18(23-24)10-17(20)25)9-8-16-13(2)21-12-26-16/h4-7,12H,3,8-11H2,1-2H3,(H2,20,25)
InChIKeyKQPGCXZYWZUNBI-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.47
Rot. Bonds8

About 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide

2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72901164) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72901164
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCc1ccc(Cn2nc(CC(N)=O)nc2CCc2scnc2C)cc1
InChIInChI=1S/C19H23N5OS/c1-3-14-4-6-15(7-5-14)11-24-19(22-18(23-24)10-17(20)25)9-8-16-13(2)21-12-26-16/h4-7,12H,3,8-11H2,1-2H3,(H2,20,25)
InChIKeyKQPGCXZYWZUNBI-UHFFFAOYSA-N
XLogP2.47
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (CID 72901164) is 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is CCc1ccc(Cn2nc(CC(N)=O)nc2CCc2scnc2C)cc1.
What is the InChIKey of 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is KQPGCXZYWZUNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-14-4-6-15(7-5-14)11-24-19(22-18(23-24)10-17(20)25)9-8-16-13(2)21-12-26-16/h4-7,12H,3,8-11H2,1-2H3,(H2,20,25).
What are the key properties of 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylphenyl)methyl]-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72901164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).