6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone

C16H14FN5OS — CID 136524051

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Cc2ccc(F)cc2)n1)N1CCn2cnnc2C1
InChIInChI=1S/C16H14FN5OS/c17-12-3-1-11(2-4-12)7-15-19-13(9-24-15)16(23)21-5-6-22-10-18-20-14(22)8-21/h1-4,9-10H,5-8H2
InChIKeyQBOFTUCZHVQNGN-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.12
Rot. Bonds3

About 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone (PubChem CID 136524051) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
PubChem CID136524051
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Cc2ccc(F)cc2)n1)N1CCn2cnnc2C1
InChIInChI=1S/C16H14FN5OS/c17-12-3-1-11(2-4-12)7-15-19-13(9-24-15)16(23)21-5-6-22-10-18-20-14(22)8-21/h1-4,9-10H,5-8H2
InChIKeyQBOFTUCZHVQNGN-UHFFFAOYSA-N
XLogP2.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone
CID 115497926
[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434191
ethyl 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-thiazole-2-carboxylate
CID 116698086
(2R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371189
(2-benzyl-1,3-thiazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 39877890
methyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 78918624
4-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 69142445
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119838905
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 154838235
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
(4-ethylpiperazin-1-yl)-[2-[[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]methanone
CID 1032422
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758493

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone (CID 136524051) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone is O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCn2cnnc2C1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is QBOFTUCZHVQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c17-12-3-1-11(2-4-12)7-15-19-13(9-24-15)16(23)21-5-6-22-10-18-20-14(22)8-21/h1-4,9-10H,5-8H2.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136524051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).