[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C18H27N3O2S — CID 47720972

IUPAC[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C18H27N3O2S/c1-18(2,3)17-19-12-14(24-17)16(23)21-10-6-13(7-11-21)15(22)20-8-4-5-9-20/h12-13H,4-11H2,1-3H3
InChIKeyVINHOZSEFDHKRR-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.92
Rot. Bonds2

About [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 47720972) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID47720972
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C18H27N3O2S/c1-18(2,3)17-19-12-14(24-17)16(23)21-10-6-13(7-11-21)15(22)20-8-4-5-9-20/h12-13H,4-11H2,1-3H3
InChIKeyVINHOZSEFDHKRR-UHFFFAOYSA-N
XLogP2.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 47720972) is [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)c1ncc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)s1.
What is the InChIKey of [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VINHOZSEFDHKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-18(2,3)17-19-12-14(24-17)16(23)21-10-6-13(7-11-21)15(22)20-8-4-5-9-20/h12-13H,4-11H2,1-3H3.
What are the key properties of [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.50 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 47720972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).