N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide

C11H18N2OS — CID 94195848

IUPACN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
SMILESCc1nc(C)c([C@H](C)NC(=O)C(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-6(2)11(14)13-8(4)10-7(3)12-9(5)15-10/h6,8H,1-5H3,(H,13,14)/t8-/m0/s1
InChIKeyZECWVBZTKUPZEE-QMMMGPOBSA-N
MW226.34 g/mol
LogP2.59
Rot. Bonds3

About N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide (PubChem CID 94195848) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
PubChem CID94195848
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
SMILESCc1nc(C)c([C@H](C)NC(=O)C(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-6(2)11(14)13-8(4)10-7(3)12-9(5)15-10/h6,8H,1-5H3,(H,13,14)/t8-/m0/s1
InChIKeyZECWVBZTKUPZEE-QMMMGPOBSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide (CID 94195848) is N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide is Cc1nc(C)c([C@H](C)NC(=O)C(C)C)s1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide?
The InChIKey is ZECWVBZTKUPZEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-6(2)11(14)13-8(4)10-7(3)12-9(5)15-10/h6,8H,1-5H3,(H,13,14)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide?
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide has a molecular weight of 226.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 94195848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).