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

C16H20N6OS — CID 122569151

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCc1c(C)nc2ncnn2c1C)c1nccs1
InChIInChI=1S/C16H20N6OS/c1-4-13(15-17-7-8-24-15)21-14(23)6-5-12-10(2)20-16-18-9-19-22(16)11(12)3/h7-9,13H,4-6H2,1-3H3,(H,21,23)
InChIKeyADWSRNRJRMPDIA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.40
Rot. Bonds6

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 122569151) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide
PubChem CID122569151
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCc1c(C)nc2ncnn2c1C)c1nccs1
InChIInChI=1S/C16H20N6OS/c1-4-13(15-17-7-8-24-15)21-14(23)6-5-12-10(2)20-16-18-9-19-22(16)11(12)3/h7-9,13H,4-6H2,1-3H3,(H,21,23)
InChIKeyADWSRNRJRMPDIA-UHFFFAOYSA-N
XLogP2.40
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(1-thiophen-2-ylethyl)propanamide
CID 18110968
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201392
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 43026414
N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 17496460
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
CID 20863517
N-(2-amino-2-methylpropyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide;hydrochloride
CID 119626416
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43020438
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 51184872
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 9142256

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide (CID 122569151) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide is CCC(NC(=O)CCc1c(C)nc2ncnn2c1C)c1nccs1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is ADWSRNRJRMPDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-4-13(15-17-7-8-24-15)21-14(23)6-5-12-10(2)20-16-18-9-19-22(16)11(12)3/h7-9,13H,4-6H2,1-3H3,(H,21,23).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.40, 6 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-[1-(1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 122569151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).