N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

C11H18N2OS — CID 47244117

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCCc1nc(NC(=O)C(C)(C)C)sc1C
InChIInChI=1S/C11H18N2OS/c1-6-8-7(2)15-10(12-8)13-9(14)11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyIHSXPGRAZPQJBF-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.00
Rot. Bonds2

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 47244117) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
PubChem CID47244117
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCCc1nc(NC(=O)C(C)(C)C)sc1C
InChIInChI=1S/C11H18N2OS/c1-6-8-7(2)15-10(12-8)13-9(14)11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyIHSXPGRAZPQJBF-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 676812
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
CID 734076
N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 2304059
N-(5-Acetyl-4-methyl-thiazol-2-yl)-2,2-dimethyl-propionamide
CID 733883
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 830648
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
CID 734580
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 2849734
2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 3164323
N-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 16095810
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 3132917
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 3706191
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 17191161

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (CID 47244117) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is CCc1nc(NC(=O)C(C)(C)C)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is IHSXPGRAZPQJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-6-8-7(2)15-10(12-8)13-9(14)11(3,4)5/h6H2,1-5H3,(H,12,13,14).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 226.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 47244117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).