7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C16H20N6OS — CID 154795343

IUPAC7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCN(CCc1nccs1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C16H20N6OS/c1-16(2,3)12-9-11(20-15-18-10-19-22(12)15)14(23)21(4)7-5-13-17-6-8-24-13/h6,8-10H,5,7H2,1-4H3
InChIKeyZGIMPLMYNQJBDX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.19
Rot. Bonds4

About 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 154795343) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID154795343
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCN(CCc1nccs1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C16H20N6OS/c1-16(2,3)12-9-11(20-15-18-10-19-22(12)15)14(23)21(4)7-5-13-17-6-8-24-13/h6,8-10H,5,7H2,1-4H3
InChIKeyZGIMPLMYNQJBDX-UHFFFAOYSA-N
XLogP2.19
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 154795343) is 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CN(CCc1nccs1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1.
What is the InChIKey of 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is ZGIMPLMYNQJBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-16(2,3)12-9-11(20-15-18-10-19-22(12)15)14(23)21(4)7-5-13-17-6-8-24-13/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 154795343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).