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

C15H17N7OS — CID 39948225

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H17N7OS/c1-8-11(9(2)22-14(18-8)16-7-17-22)5-6-12(23)19-15-21-20-13(24-15)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,19,21,23)
InChIKeyCGYQHQHKDMINRZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.04
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 39948225) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID39948225
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H17N7OS/c1-8-11(9(2)22-14(18-8)16-7-17-22)5-6-12(23)19-15-21-20-13(24-15)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,19,21,23)
InChIKeyCGYQHQHKDMINRZ-UHFFFAOYSA-N
XLogP2.04
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33039441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(6,8-dimethyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 56761720
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 56761994
C13H15N7OS
CID 56762336
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
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 3227362
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-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24509215
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 26466310
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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of 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) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is CGYQHQHKDMINRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-8-11(9(2)22-14(18-8)16-7-17-22)5-6-12(23)19-15-21-20-13(24-15)10-3-4-10/h7,10H,3-6H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 343.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 39948225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).