(2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide

C18H19N3O2S — CID 164642951

IUPAC(2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide
SMILESO=C(NCc1nccs1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1
InChIInChI=1S/C18H19N3O2S/c22-17(20-12-16-19-9-11-24-16)21-10-3-7-18(13-21)8-6-14-4-1-2-5-15(14)23-18/h1-2,4-6,8-9,11H,3,7,10,12-13H2,(H,20,22)/t18-/m1/s1
InChIKeyJXQMNMBQOLFXDV-GOSISDBHSA-N
MW341.44 g/mol
LogP3.29
Rot. Bonds2

About (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide

(2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide (PubChem CID 164642951) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide
PubChem CID164642951
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide
SMILESO=C(NCc1nccs1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1
InChIInChI=1S/C18H19N3O2S/c22-17(20-12-16-19-9-11-24-16)21-10-3-7-18(13-21)8-6-14-4-1-2-5-15(14)23-18/h1-2,4-6,8-9,11H,3,7,10,12-13H2,(H,20,22)/t18-/m1/s1
InChIKeyJXQMNMBQOLFXDV-GOSISDBHSA-N
XLogP3.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide?
The IUPAC name of (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide (CID 164642951) is (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide?
The canonical SMILES for (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide is O=C(NCc1nccs1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1.
What is the InChIKey of (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide?
The InChIKey is JXQMNMBQOLFXDV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(20-12-16-19-9-11-24-16)21-10-3-7-18(13-21)8-6-14-4-1-2-5-15(14)23-18/h1-2,4-6,8-9,11H,3,7,10,12-13H2,(H,20,22)/t18-/m1/s1.
What are the key properties of (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide?
(2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 164642951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).