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

C16H17N7OS — CID 134027791

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C16H17N7OS/c1-10-13(11(2)23-15(20-10)18-9-19-23)3-4-14(24)17-7-12-8-22-5-6-25-16(22)21-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,24)
InChIKeyBGOOCVYVRYAOFP-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.70
Rot. Bonds5

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide (PubChem CID 134027791) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide
PubChem CID134027791
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C16H17N7OS/c1-10-13(11(2)23-15(20-10)18-9-19-23)3-4-14(24)17-7-12-8-22-5-6-25-16(22)21-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,24)
InChIKeyBGOOCVYVRYAOFP-UHFFFAOYSA-N
XLogP1.70
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245295
N-(2-amino-2-methylpropyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide;hydrochloride
CID 119626416
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
CID 74242271
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
CID 20863517
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930032
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 47037193
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157120
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 17426060
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18110968
N-[2-(4-aminophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 119547739

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide (CID 134027791) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cn2ccsc2n1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide?
The InChIKey is BGOOCVYVRYAOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-10-13(11(2)23-15(20-10)18-9-19-23)3-4-14(24)17-7-12-8-22-5-6-25-16(22)21-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,24).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide has a molecular weight of 355.43 g/mol, XLogP of 1.70, 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-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide is sourced from PubChem (CID 134027791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).