N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide

C11H18N2OS — CID 3706191

IUPACN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C(C)(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-6-8(14)13-10-12-7(2)9(15-10)11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyJLWSDQZQKQVJOI-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.10
Rot. Bonds2

About N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 3706191) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID3706191
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C(C)(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-6-8(14)13-10-12-7(2)9(15-10)11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyJLWSDQZQKQVJOI-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide (CID 3706191) is N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide is CCC(=O)Nc1nc(C)c(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JLWSDQZQKQVJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-6-8(14)13-10-12-7(2)9(15-10)11(3,4)5/h6H2,1-5H3,(H,12,13,14).
What are the key properties of N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide?
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 226.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3706191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).