5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole

C16H23N3OS2 — CID 174702093

IUPAC5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CSc2cnc(N3CCCCC3)s2)o1
InChIInChI=1S/C16H23N3OS2/c1-16(2,3)12-9-17-13(20-12)11-21-14-10-18-15(22-14)19-7-5-4-6-8-19/h9-10H,4-8,11H2,1-3H3
InChIKeyPEYQOYPCGKUTSH-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.71
Rot. Bonds4

About 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole

5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 174702093) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID174702093
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC Name5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CSc2cnc(N3CCCCC3)s2)o1
InChIInChI=1S/C16H23N3OS2/c1-16(2,3)12-9-17-13(20-12)11-21-14-10-18-15(22-14)19-7-5-4-6-8-19/h9-10H,4-8,11H2,1-3H3
InChIKeyPEYQOYPCGKUTSH-UHFFFAOYSA-N
XLogP4.71
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole (CID 174702093) is 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole is CC(C)(C)c1cnc(CSc2cnc(N3CCCCC3)s2)o1.
What is the InChIKey of 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is PEYQOYPCGKUTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS2/c1-16(2,3)12-9-17-13(20-12)11-21-14-10-18-15(22-14)19-7-5-4-6-8-19/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 337.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(2-piperidin-1-yl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 174702093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).