[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C16H16FN5OS — CID 25284535

IUPAC[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C16H16FN5OS/c1-20-12(5-6-18-20)15(23)21-7-9-22(10-8-21)16-19-14-11(17)3-2-4-13(14)24-16/h2-6H,7-10H2,1H3
InChIKeyZLJZCBIHBAWYFJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.13
Rot. Bonds2

About [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 25284535) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID25284535
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C16H16FN5OS/c1-20-12(5-6-18-20)15(23)21-7-9-22(10-8-21)16-19-14-11(17)3-2-4-13(14)24-16/h2-6H,7-10H2,1H3
InChIKeyZLJZCBIHBAWYFJ-UHFFFAOYSA-N
XLogP2.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 25284535) is [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCN(c2nc3c(F)cccc3s2)CC1.
What is the InChIKey of [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZLJZCBIHBAWYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-20-12(5-6-18-20)15(23)21-7-9-22(10-8-21)16-19-14-11(17)3-2-4-13(14)24-16/h2-6H,7-10H2,1H3.
What are the key properties of [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 25284535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).