1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone

C14H16N4OS — CID 4072012

IUPAC1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=NNc2nc3ccccc3s2)CC1
InChIInChI=1S/C14H16N4OS/c1-10(19)18-8-6-11(7-9-18)16-17-14-15-12-4-2-3-5-13(12)20-14/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeySHNWQKMOKLZLTN-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.71
Rot. Bonds2

About 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone

1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone (PubChem CID 4072012) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone
PubChem CID4072012
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=NNc2nc3ccccc3s2)CC1
InChIInChI=1S/C14H16N4OS/c1-10(19)18-8-6-11(7-9-18)16-17-14-15-12-4-2-3-5-13(12)20-14/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeySHNWQKMOKLZLTN-UHFFFAOYSA-N
XLogP2.71
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methabenzthiazuron
CID 29216
Benzthiazuron
CID 16007
Bentaluron
CID 4408229
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CID 231904
N-[(E)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 9566818
N-2-Benzothiazolyl-N'-butylurea
CID 99178
1-(1,3-Benzothiazol-2-yl)-3-propylurea
CID 2130250
Acetamide, N-2-benzothiazolyl-
CID 350459
1-(1,3-Benzothiazol-2-yl)-3-cyclohexylurea
CID 762207
4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide
CID 1488116
1-(1,3-Benzothiazol-2-ylamino)-3-propan-2-ylthiourea
CID 2422717
3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 2519122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone (CID 4072012) is 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone is CC(=O)N1CCC(=NNc2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone?
The InChIKey is SHNWQKMOKLZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10(19)18-8-6-11(7-9-18)16-17-14-15-12-4-2-3-5-13(12)20-14/h2-5H,6-9H2,1H3,(H,15,17).
What are the key properties of 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone?
1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone has a molecular weight of 288.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-ylhydrazinylidene)piperidin-1-yl]ethanone is sourced from PubChem (CID 4072012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).