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

C10H16N2OS — CID 52893971

IUPAC3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide
SMILESCn1ccs/c1=N\C(=O)CC(C)(C)C
InChIInChI=1S/C10H16N2OS/c1-10(2,3)7-8(13)11-9-12(4)5-6-14-9/h5-6H,7H2,1-4H3/b11-9-
InChIKeyRAXIVADINROVPT-LUAWRHEFSA-N
MW212.32 g/mol
LogP1.95
Rot. Bonds1

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

3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide (PubChem CID 52893971) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide
PubChem CID52893971
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide
SMILESCn1ccs/c1=N\C(=O)CC(C)(C)C
InChIInChI=1S/C10H16N2OS/c1-10(2,3)7-8(13)11-9-12(4)5-6-14-9/h5-6H,7H2,1-4H3/b11-9-
InChIKeyRAXIVADINROVPT-LUAWRHEFSA-N
XLogP1.95
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide (CID 52893971) is 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide is Cn1ccs/c1=N\C(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
The InChIKey is RAXIVADINROVPT-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)7-8(13)11-9-12(4)5-6-14-9/h5-6H,7H2,1-4H3/b11-9-.
What are the key properties of 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide has a molecular weight of 212.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide is sourced from PubChem (CID 52893971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).