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

C15H18N6OS — CID 47044604

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cs1
InChIInChI=1S/C15H18N6OS/c1-9-13(10(2)21-15(19-9)17-8-18-21)4-5-14(22)16-6-12-7-23-11(3)20-12/h7-8H,4-6H2,1-3H3,(H,16,22)
InChIKeyLZXZRMVLVBSFOZ-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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 47044604) 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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID47044604
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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cs1
InChIInChI=1S/C15H18N6OS/c1-9-13(10(2)21-15(19-9)17-8-18-21)4-5-14(22)16-6-12-7-23-11(3)20-12/h7-8H,4-6H2,1-3H3,(H,16,22)
InChIKeyLZXZRMVLVBSFOZ-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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 47044604) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cs1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is LZXZRMVLVBSFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-9-13(10(2)21-15(19-9)17-8-18-21)4-5-14(22)16-6-12-7-23-11(3)20-12/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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 47044604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).