1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H19N3OS — CID 630762

IUPAC1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3cccc4ccccc34)cs2)CC1
InChIInChI=1S/C19H19N3OS/c20-18(23)14-8-10-22(11-9-14)19-21-17(12-24-19)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H2,20,23)
InChIKeyYLLOLSCPHATDCQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.66
Rot. Bonds3

About 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 630762) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID630762
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3cccc4ccccc34)cs2)CC1
InChIInChI=1S/C19H19N3OS/c20-18(23)14-8-10-22(11-9-14)19-21-17(12-24-19)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H2,20,23)
InChIKeyYLLOLSCPHATDCQ-UHFFFAOYSA-N
XLogP3.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 630762) is 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3cccc4ccccc34)cs2)CC1.
What is the InChIKey of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YLLOLSCPHATDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c20-18(23)14-8-10-22(11-9-14)19-21-17(12-24-19)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H2,20,23).
What are the key properties of 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 630762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).