N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide

C13H22N2OS — CID 141489532

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H22N2OS/c1-7-13(4,5)12(16)15(6)8-11-14-9(2)10(3)17-11/h7-8H2,1-6H3
InChIKeyIBJVKHOJNABFLZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.15
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 141489532) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide
PubChem CID141489532
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H22N2OS/c1-7-13(4,5)12(16)15(6)8-11-14-9(2)10(3)17-11/h7-8H2,1-6H3
InChIKeyIBJVKHOJNABFLZ-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
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)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide (CID 141489532) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is IBJVKHOJNABFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-7-13(4,5)12(16)15(6)8-11-14-9(2)10(3)17-11/h7-8H2,1-6H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 254.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 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)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 141489532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).