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

C14H18N8OS — CID 138386353

IUPAC2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCN(C)Cc1nc(-c2nc(CC(N)=O)nn2-c2ccnn2C)cs1
InChIInChI=1S/C14H18N8OS/c1-20(2)7-12-17-9(8-24-12)14-18-11(6-10(15)23)19-22(14)13-4-5-16-21(13)3/h4-5,8H,6-7H2,1-3H3,(H2,15,23)
InChIKeyFJJIWTPOQDWSJS-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.21
Rot. Bonds6

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

2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 138386353) has the molecular formula C14H18N8OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID138386353
Molecular FormulaC14H18N8OS
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC Name2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCN(C)Cc1nc(-c2nc(CC(N)=O)nn2-c2ccnn2C)cs1
InChIInChI=1S/C14H18N8OS/c1-20(2)7-12-17-9(8-24-12)14-18-11(6-10(15)23)19-22(14)13-4-5-16-21(13)3/h4-5,8H,6-7H2,1-3H3,(H2,15,23)
InChIKeyFJJIWTPOQDWSJS-UHFFFAOYSA-N
XLogP0.21
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide (CID 138386353) is 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide is CN(C)Cc1nc(-c2nc(CC(N)=O)nn2-c2ccnn2C)cs1.
What is the InChIKey of 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is FJJIWTPOQDWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8OS/c1-20(2)7-12-17-9(8-24-12)14-18-11(6-10(15)23)19-22(14)13-4-5-16-21(13)3/h4-5,8H,6-7H2,1-3H3,(H2,15,23).
What are the key properties of 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide?
2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 346.42 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 138386353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).