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

C18H17N7OS — CID 27991624

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N7OS/c1-11-14(12(2)25-17(21-11)19-10-20-25)8-9-15(26)22-18-24-23-16(27-18)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,22,24,26)
InChIKeyLSEKRQRKIUOWCY-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.83
Rot. Bonds5

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 27991624) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID27991624
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N7OS/c1-11-14(12(2)25-17(21-11)19-10-20-25)8-9-15(26)22-18-24-23-16(27-18)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,22,24,26)
InChIKeyLSEKRQRKIUOWCY-UHFFFAOYSA-N
XLogP2.83
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 27991624) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is LSEKRQRKIUOWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-11-14(12(2)25-17(21-11)19-10-20-25)8-9-15(26)22-18-24-23-16(27-18)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,22,24,26).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 379.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 27991624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).