1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide

C16H20ClN3OS — CID 3482041

IUPAC1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C16H20ClN3OS/c1-10(2)18-15(21)11-5-7-20(8-6-11)16-19-13-9-12(17)3-4-14(13)22-16/h3-4,9-11H,5-8H2,1-2H3,(H,18,21)
InChIKeyDTJRSBJHDHOANE-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.69
Rot. Bonds3

About 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide

1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 3482041) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID3482041
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C16H20ClN3OS/c1-10(2)18-15(21)11-5-7-20(8-6-11)16-19-13-9-12(17)3-4-14(13)22-16/h3-4,9-11H,5-8H2,1-2H3,(H,18,21)
InChIKeyDTJRSBJHDHOANE-UHFFFAOYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 3482041) is 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2nc3cc(Cl)ccc3s2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DTJRSBJHDHOANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-10(2)18-15(21)11-5-7-20(8-6-11)16-19-13-9-12(17)3-4-14(13)22-16/h3-4,9-11H,5-8H2,1-2H3,(H,18,21).
What are the key properties of 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 337.88 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzothiazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3482041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).