2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C12H18N6OS — CID 66193039

IUPAC2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)NCc1cn(CC(=O)Nc2nccs2)nn1
InChIInChI=1S/C12H18N6OS/c1-12(2,3)14-6-9-7-18(17-16-9)8-10(19)15-11-13-4-5-20-11/h4-5,7,14H,6,8H2,1-3H3,(H,13,15,19)
InChIKeyJJYIJXRXGAELFJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.26
Rot. Bonds5

About 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 66193039) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID66193039
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)NCc1cn(CC(=O)Nc2nccs2)nn1
InChIInChI=1S/C12H18N6OS/c1-12(2,3)14-6-9-7-18(17-16-9)8-10(19)15-11-13-4-5-20-11/h4-5,7,14H,6,8H2,1-3H3,(H,13,15,19)
InChIKeyJJYIJXRXGAELFJ-UHFFFAOYSA-N
XLogP1.26
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 66193039) is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CC(C)(C)NCc1cn(CC(=O)Nc2nccs2)nn1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JJYIJXRXGAELFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-12(2,3)14-6-9-7-18(17-16-9)8-10(19)15-11-13-4-5-20-11/h4-5,7,14H,6,8H2,1-3H3,(H,13,15,19).
What are the key properties of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 66193039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).