2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide

C16H23N3O2S — CID 164636384

IUPAC2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O2S/c1-9(13-10(2)19-21-11(13)3)7-17-14(20)12-8-22-15(18-12)16(4,5)6/h8-9H,7H2,1-6H3,(H,17,20)/t9-/m0/s1
InChIKeyXTEZIZBQIJJXSV-VIFPVBQESA-N
MW321.45 g/mol
LogP3.58
Rot. Bonds4

About 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide

2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 164636384) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID164636384
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C16H23N3O2S/c1-9(13-10(2)19-21-11(13)3)7-17-14(20)12-8-22-15(18-12)16(4,5)6/h8-9H,7H2,1-6H3,(H,17,20)/t9-/m0/s1
InChIKeyXTEZIZBQIJJXSV-VIFPVBQESA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide (CID 164636384) is 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide is Cc1noc(C)c1[C@@H](C)CNC(=O)c1csc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XTEZIZBQIJJXSV-VIFPVBQESA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-9(13-10(2)19-21-11(13)3)7-17-14(20)12-8-22-15(18-12)16(4,5)6/h8-9H,7H2,1-6H3,(H,17,20)/t9-/m0/s1.
What are the key properties of 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide?
2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164636384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).