1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone

C19H20N4O2S — CID 16670618

IUPAC1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)cnn1C
InChIInChI=1S/C19H20N4O2S/c1-12-14(11-20-22(12)2)19(25)23-9-7-13(8-10-23)17(24)18-21-15-5-3-4-6-16(15)26-18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyMNXVAJKKRFECOA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.07
Rot. Bonds3

About 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone

1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 16670618) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone
PubChem CID16670618
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)cnn1C
InChIInChI=1S/C19H20N4O2S/c1-12-14(11-20-22(12)2)19(25)23-9-7-13(8-10-23)17(24)18-21-15-5-3-4-6-16(15)26-18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyMNXVAJKKRFECOA-UHFFFAOYSA-N
XLogP3.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone (CID 16670618) is 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone is Cc1c(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)cnn1C.
What is the InChIKey of 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is MNXVAJKKRFECOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-14(11-20-22(12)2)19(25)23-9-7-13(8-10-23)17(24)18-21-15-5-3-4-6-16(15)26-18/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 16670618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).