[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

C18H16N6OS — CID 162638112

IUPAC[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESO=C(c1cccc2ncnn12)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C18H16N6OS/c25-18(14-5-3-7-16-19-12-20-24(14)16)23-10-8-22(9-11-23)17-13-4-1-2-6-15(13)26-21-17/h1-7,12H,8-11H2
InChIKeyNYMZNRVQJZDCCO-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.30
Rot. Bonds2

About [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (PubChem CID 162638112) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
PubChem CID162638112
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESO=C(c1cccc2ncnn12)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C18H16N6OS/c25-18(14-5-3-7-16-19-12-20-24(14)16)23-10-8-22(9-11-23)17-13-4-1-2-6-15(13)26-21-17/h1-7,12H,8-11H2
InChIKeyNYMZNRVQJZDCCO-UHFFFAOYSA-N
XLogP2.30
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-imidazo[1,2-b]pyridazin-6-ylmethanone
CID 146075253
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155799655
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 16764503
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157019312
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanone
CID 4870859
5-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 91780975
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 72865234
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 118775576
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146040720
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanone
CID 4896631

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (CID 162638112) is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is O=C(c1cccc2ncnn12)N1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is NYMZNRVQJZDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-18(14-5-3-7-16-19-12-20-24(14)16)23-10-8-22(9-11-23)17-13-4-1-2-6-15(13)26-21-17/h1-7,12H,8-11H2.
What are the key properties of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 364.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 162638112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).