5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H16N6OS — CID 37019076

IUPAC5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3nc(C(C)C)cs3)nc2n1
InChIInChI=1S/C14H16N6OS/c1-7(2)10-6-22-14(16-10)18-12(21)11-17-13-15-8(3)5-9(4)20(13)19-11/h5-7H,1-4H3,(H,16,18,21)
InChIKeyCGZMZBLNVUBEJP-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.57
Rot. Bonds3

About 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 37019076) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID37019076
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3nc(C(C)C)cs3)nc2n1
InChIInChI=1S/C14H16N6OS/c1-7(2)10-6-22-14(16-10)18-12(21)11-17-13-15-8(3)5-9(4)20(13)19-11/h5-7H,1-4H3,(H,16,18,21)
InChIKeyCGZMZBLNVUBEJP-UHFFFAOYSA-N
XLogP2.57
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 37019076) is 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3nc(C(C)C)cs3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CGZMZBLNVUBEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-7(2)10-6-22-14(16-10)18-12(21)11-17-13-15-8(3)5-9(4)20(13)19-11/h5-7H,1-4H3,(H,16,18,21).
What are the key properties of 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 37019076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).