1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide

C18H18N6OS — CID 110307602

IUPAC1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3csc4ncnn34)nn2C)cc1
InChIInChI=1S/C18H18N6OS/c1-12-3-5-13(6-4-12)16-9-15(22-23(16)2)17(25)19-8-7-14-10-26-18-20-11-21-24(14)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)
InChIKeyMNIQFBAFTDXCNU-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.47
Rot. Bonds5

About 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide

1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 110307602) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
PubChem CID110307602
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3csc4ncnn34)nn2C)cc1
InChIInChI=1S/C18H18N6OS/c1-12-3-5-13(6-4-12)16-9-15(22-23(16)2)17(25)19-8-7-14-10-26-18-20-11-21-24(14)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)
InChIKeyMNIQFBAFTDXCNU-UHFFFAOYSA-N
XLogP2.47
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
CID 110307605
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627643
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354295
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110627635
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627645
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
2-cyclopentyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide (CID 110307602) is 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCc3csc4ncnn34)nn2C)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is MNIQFBAFTDXCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-12-3-5-13(6-4-12)16-9-15(22-23(16)2)17(25)19-8-7-14-10-26-18-20-11-21-24(14)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,25).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110307602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).