2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate

C16H16F3N3O3S — CID 17491150

IUPAC2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)9-25-15(24)22-7-5-10(6-8-22)13(23)21-14-20-11-3-1-2-4-12(11)26-14/h1-4,10H,5-9H2,(H,20,21,23)
InChIKeyACIOJVRDPHXEJF-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.65
Rot. Bonds3

About 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 17491150) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID17491150
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)9-25-15(24)22-7-5-10(6-8-22)13(23)21-14-20-11-3-1-2-4-12(11)26-14/h1-4,10H,5-9H2,(H,20,21,23)
InChIKeyACIOJVRDPHXEJF-UHFFFAOYSA-N
XLogP3.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoroethyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 24618821
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 8882216
2,2,2-trifluoroethyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 46565978
2,2,2-trifluoroethyl 4-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 16581765
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
2,2,2-trifluoroethyl 4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 32812975
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
tert-butyl 2-(1,3-benzothiazol-2-ylcarbamoyl)azetidine-1-carboxylate
CID 91536144

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate (CID 17491150) is 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate is O=C(Nc1nc2ccccc2s1)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is ACIOJVRDPHXEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c17-16(18,19)9-25-15(24)22-7-5-10(6-8-22)13(23)21-14-20-11-3-1-2-4-12(11)26-14/h1-4,10H,5-9H2,(H,20,21,23).
What are the key properties of 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 387.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 17491150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).