N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C19H25N3O2S — CID 31775960

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)C3CCN(C(=O)C(C)C)CC3)sc2c1
InChIInChI=1S/C19H25N3O2S/c1-11(2)18(24)22-7-5-14(6-8-22)17(23)21-19-20-16-13(4)9-12(3)10-15(16)25-19/h9-11,14H,5-8H2,1-4H3,(H,20,21,23)
InChIKeyLXZXKWFOTCSZFU-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.75
Rot. Bonds3

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 31775960) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID31775960
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)C3CCN(C(=O)C(C)C)CC3)sc2c1
InChIInChI=1S/C19H25N3O2S/c1-11(2)18(24)22-7-5-14(6-8-22)17(23)21-19-20-16-13(4)9-12(3)10-15(16)25-19/h9-11,14H,5-8H2,1-4H3,(H,20,21,23)
InChIKeyLXZXKWFOTCSZFU-UHFFFAOYSA-N
XLogP3.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 31775960) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is Cc1cc(C)c2nc(NC(=O)C3CCN(C(=O)C(C)C)CC3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is LXZXKWFOTCSZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-11(2)18(24)22-7-5-14(6-8-22)17(23)21-19-20-16-13(4)9-12(3)10-15(16)25-19/h9-11,14H,5-8H2,1-4H3,(H,20,21,23).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 31775960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).