N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C13H15N7OS — CID 3238939

IUPACN-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1csc(N)n1
InChIInChI=1S/C13H15N7OS/c1-7-9(8(2)20-13(17-7)15-6-16-20)3-4-11(21)18-10-5-22-12(14)19-10/h5-6H,3-4H2,1-2H3,(H2,14,19)(H,18,21)
InChIKeyAITZVJIJJUBPCG-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.35
Rot. Bonds4

About N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 3238939) has the molecular formula C13H15N7OS and a molecular weight of 317.38 g/mol. Its IUPAC name is N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID3238939
Molecular FormulaC13H15N7OS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC NameN-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1csc(N)n1
InChIInChI=1S/C13H15N7OS/c1-7-9(8(2)20-13(17-7)15-6-16-20)3-4-11(21)18-10-5-22-12(14)19-10/h5-6H,3-4H2,1-2H3,(H2,14,19)(H,18,21)
InChIKeyAITZVJIJJUBPCG-UHFFFAOYSA-N
XLogP1.35
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 39948225
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8098772
N-(1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41527366
(4-Methylthiazol-5-yl)-3-methyl-4,5-dihydro-1h-pyrazolo[3,4-b]pyridin-6(7h)-one
CID 172638240
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16621163
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 17476772
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 17476788
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 18128749
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 24509249
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 24611249
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370391
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 32867692

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 3238939) is N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1csc(N)n1.
What is the InChIKey of N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is AITZVJIJJUBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS/c1-7-9(8(2)20-13(17-7)15-6-16-20)3-4-11(21)18-10-5-22-12(14)19-10/h5-6H,3-4H2,1-2H3,(H2,14,19)(H,18,21).
What are the key properties of N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 317.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 3238939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).