N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C10H10BrN5O2S — CID 154788349

IUPACN-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CCc2n[nH]c(=O)n2C1
InChIInChI=1S/C10H10BrN5O2S/c11-6-3-12-9(19-6)13-8(17)5-1-2-7-14-15-10(18)16(7)4-5/h3,5H,1-2,4H2,(H,15,18)(H,12,13,17)
InChIKeyMKYYDIBRJYIEOJ-UHFFFAOYSA-N
MW344.19 g/mol
LogP0.99
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 154788349) has the molecular formula C10H10BrN5O2S and a molecular weight of 344.19 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID154788349
Molecular FormulaC10H10BrN5O2S
Molecular Weight344.19 g/mol
Exact Mass342.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CCc2n[nH]c(=O)n2C1
InChIInChI=1S/C10H10BrN5O2S/c11-6-3-12-9(19-6)13-8(17)5-1-2-7-14-15-10(18)16(7)4-5/h3,5H,1-2,4H2,(H,15,18)(H,12,13,17)
InChIKeyMKYYDIBRJYIEOJ-UHFFFAOYSA-N
XLogP0.99
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 79161232
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 103602102
N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60654763
methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
CID 53352081
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
(1R,2R,4S)-3-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
CID 87167281
6-phenyl-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 12764925
N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 154852514

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 154788349) is N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(Nc1ncc(Br)s1)C1CCc2n[nH]c(=O)n2C1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MKYYDIBRJYIEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O2S/c11-6-3-12-9(19-6)13-8(17)5-1-2-7-14-15-10(18)16(7)4-5/h3,5H,1-2,4H2,(H,15,18)(H,12,13,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 344.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 154788349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).