2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide

C14H24N2O2S — CID 75440725

IUPAC2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)C(CO)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-6-9(2)10(8-17)16-12(18)11-7-15-13(19-11)14(3,4)5/h7,9-10,17H,6,8H2,1-5H3,(H,16,18)
InChIKeyCKAOZVGIUQMQMB-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.58
Rot. Bonds5

About 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 75440725) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID75440725
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)C(CO)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-6-9(2)10(8-17)16-12(18)11-7-15-13(19-11)14(3,4)5/h7,9-10,17H,6,8H2,1-5H3,(H,16,18)
InChIKeyCKAOZVGIUQMQMB-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide (CID 75440725) is 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide is CCC(C)C(CO)NC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CKAOZVGIUQMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-9(2)10(8-17)16-12(18)11-7-15-13(19-11)14(3,4)5/h7,9-10,17H,6,8H2,1-5H3,(H,16,18).
What are the key properties of 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1-hydroxy-3-methylpentan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75440725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).