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

C15H18N6OS — CID 51316028

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCc2c(C)nc3ncnn3c2C)n1
InChIInChI=1S/C15H18N6OS/c1-9-7-23-14(19-9)6-16-13(22)5-4-12-10(2)20-15-17-8-18-21(15)11(12)3/h7-8H,4-6H2,1-3H3,(H,16,22)
InChIKeyWIFNTWYHZHTZIE-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.76
Rot. Bonds5

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 51316028) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID51316028
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCc2c(C)nc3ncnn3c2C)n1
InChIInChI=1S/C15H18N6OS/c1-9-7-23-14(19-9)6-16-13(22)5-4-12-10(2)20-15-17-8-18-21(15)11(12)3/h7-8H,4-6H2,1-3H3,(H,16,22)
InChIKeyWIFNTWYHZHTZIE-UHFFFAOYSA-N
XLogP1.76
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 51316028) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1csc(CNC(=O)CCc2c(C)nc3ncnn3c2C)n1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is WIFNTWYHZHTZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-9-7-23-14(19-9)6-16-13(22)5-4-12-10(2)20-15-17-8-18-21(15)11(12)3/h7-8H,4-6H2,1-3H3,(H,16,22).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 330.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 51316028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).