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

C11H18N2OS — CID 17191161

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCc1nc(NC(=O)CC(C)(C)C)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)15-10(12-7)13-9(14)6-11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyUXHXSHJSKBVQJV-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.13
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 17191161) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
PubChem CID17191161
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
SMILESCc1nc(NC(=O)CC(C)(C)C)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)15-10(12-7)13-9(14)6-11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyUXHXSHJSKBVQJV-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide (CID 17191161) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide is Cc1nc(NC(=O)CC(C)(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is UXHXSHJSKBVQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-8(2)15-10(12-7)13-9(14)6-11(3,4)5/h6H2,1-5H3,(H,12,13,14).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 226.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 17191161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).