2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide

C15H23N3O2S — CID 95773755

IUPAC2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCC(=O)N(C)C1
InChIInChI=1S/C15H23N3O2S/c1-9-12(21-14(16-9)15(2,3)4)13(20)17-10-6-7-11(19)18(5)8-10/h10H,6-8H2,1-5H3,(H,17,20)/t10-/m1/s1
InChIKeyYCUWDTJUFBULNS-SNVBAGLBSA-N
MW309.44 g/mol
LogP2.10
Rot. Bonds2

About 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 95773755) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID95773755
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCC(=O)N(C)C1
InChIInChI=1S/C15H23N3O2S/c1-9-12(21-14(16-9)15(2,3)4)13(20)17-10-6-7-11(19)18(5)8-10/h10H,6-8H2,1-5H3,(H,17,20)/t10-/m1/s1
InChIKeyYCUWDTJUFBULNS-SNVBAGLBSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 95773755) is 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCC(=O)N(C)C1.
What is the InChIKey of 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YCUWDTJUFBULNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9-12(21-14(16-9)15(2,3)4)13(20)17-10-6-7-11(19)18(5)8-10/h10H,6-8H2,1-5H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95773755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).