N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C12H20N2O2S — CID 60665014

IUPACN-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-9-8-17-11(16)14(9)7-5-6-10(15)13-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyJLAFNKOPYDOHPP-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.91
Rot. Bonds4

About N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 60665014) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID60665014
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-9-8-17-11(16)14(9)7-5-6-10(15)13-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyJLAFNKOPYDOHPP-UHFFFAOYSA-N
XLogP1.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16272650
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18118143
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylpropanamide
CID 29198709
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 30482916
N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 31715854
N-methoxy-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 33101559
N-cyclopentyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 33838841
N-cyclopropyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 34844484
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35362291
4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43091146
N-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43500575
N-(2-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 46419922

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 60665014) is N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is JLAFNKOPYDOHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-8-17-11(16)14(9)7-5-6-10(15)13-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 256.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 60665014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).