2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide

C11H18N2OS — CID 71426525

IUPAC2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)10-12-7-8(15-10)6-9(14)13(4)5/h7H,6H2,1-5H3
InChIKeyYSFODAYWZYKBRM-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.07
Rot. Bonds2

About 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide

2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide (PubChem CID 71426525) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide
PubChem CID71426525
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)10-12-7-8(15-10)6-9(14)13(4)5/h7H,6H2,1-5H3
InChIKeyYSFODAYWZYKBRM-UHFFFAOYSA-N
XLogP2.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide (CID 71426525) is 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide?
The InChIKey is YSFODAYWZYKBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)10-12-7-8(15-10)6-9(14)13(4)5/h7H,6H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide?
2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide has a molecular weight of 226.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 71426525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).