[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone

C16H15F2N5OS — CID 70770931

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H15F2N5OS/c17-15(18)23-12(5-6-19-23)14(24)21-7-9-22(10-8-21)16-20-11-3-1-2-4-13(11)25-16/h1-6,15H,7-10H2
InChIKeyMXKZYMRHDOPIIC-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.85
Rot. Bonds3

About [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone (PubChem CID 70770931) has the molecular formula C16H15F2N5OS and a molecular weight of 363.39 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
PubChem CID70770931
Molecular FormulaC16H15F2N5OS
Molecular Weight363.39 g/mol
Exact Mass363.10
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccnn1C(F)F)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H15F2N5OS/c17-15(18)23-12(5-6-19-23)14(24)21-7-9-22(10-8-21)16-20-11-3-1-2-4-13(11)25-16/h1-6,15H,7-10H2
InChIKeyMXKZYMRHDOPIIC-UHFFFAOYSA-N
XLogP2.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 121082961
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 121082962
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 86285492
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
CID 72912494
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone
CID 70706577
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70781900
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 3225147
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 70777309
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 72849189
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70756164

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone (CID 70770931) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone is O=C(c1ccnn1C(F)F)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is MXKZYMRHDOPIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS/c17-15(18)23-12(5-6-19-23)14(24)21-7-9-22(10-8-21)16-20-11-3-1-2-4-13(11)25-16/h1-6,15H,7-10H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 363.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 70770931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).