N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide

C9H16N2OS — CID 2971355

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1=NCCS1
InChIInChI=1S/C9H16N2OS/c1-9(2,3)6-7(12)11-8-10-4-5-13-8/h4-6H2,1-3H3,(H,10,11,12)
InChIKeyLKOGWHZBGUBICX-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.64
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 2971355) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
PubChem CID2971355
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1=NCCS1
InChIInChI=1S/C9H16N2OS/c1-9(2,3)6-7(12)11-8-10-4-5-13-8/h4-6H2,1-3H3,(H,10,11,12)
InChIKeyLKOGWHZBGUBICX-UHFFFAOYSA-N
XLogP1.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide (CID 2971355) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is LKOGWHZBGUBICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,3)6-7(12)11-8-10-4-5-13-8/h4-6H2,1-3H3,(H,10,11,12).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 200.31 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 2971355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).