2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide

C13H18N6OS — CID 56780048

IUPAC2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc2n(n1)CC(NCC(=O)Nc1nccs1)CC2
InChIInChI=1S/C13H18N6OS/c1-2-10-16-11-4-3-9(8-19(11)18-10)15-7-12(20)17-13-14-5-6-21-13/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,17,20)
InChIKeyWRHZOFSPWLZZKH-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.84
Rot. Bonds5

About 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide

2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 56780048) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID56780048
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc2n(n1)CC(NCC(=O)Nc1nccs1)CC2
InChIInChI=1S/C13H18N6OS/c1-2-10-16-11-4-3-9(8-19(11)18-10)15-7-12(20)17-13-14-5-6-21-13/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,17,20)
InChIKeyWRHZOFSPWLZZKH-UHFFFAOYSA-N
XLogP0.84
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[(5-butyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 2985038
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 2986542
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylpropanamide
CID 2987609
N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 56802662
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71892955
2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 75369838
N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609974
(2S)-N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide
CID 125167310
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125438328
2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6489387
N-1,3-thiazol-2-yl-3-{4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazin-1-yl}propanamide
CID 50978991
4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 143320241

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide (CID 56780048) is 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide is CCc1nc2n(n1)CC(NCC(=O)Nc1nccs1)CC2.
What is the InChIKey of 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WRHZOFSPWLZZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-2-10-16-11-4-3-9(8-19(11)18-10)15-7-12(20)17-13-14-5-6-21-13/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,17,20).
What are the key properties of 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 56780048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).