3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C10H16N2OS — CID 3902865

IUPAC3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CC(C)(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-7-6-14-9(11-7)12-8(13)5-10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyCSVJYHGYFHPUEI-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.83
Rot. Bonds2

About 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 3902865) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID3902865
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CC(C)(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-7-6-14-9(11-7)12-8(13)5-10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyCSVJYHGYFHPUEI-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 3902865) is 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(NC(=O)CC(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is CSVJYHGYFHPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-6-14-9(11-7)12-8(13)5-10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 212.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3902865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).