N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C12H20N2O2S — CID 41090948

IUPACN-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-8(2)10(4)13-11(15)5-6-14-9(3)7-17-12(14)16/h7-8,10H,5-6H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyMCWZDTJEPSFGIZ-JTQLQIEISA-N
MW256.37 g/mol
LogP1.77
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 41090948) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID41090948
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-8(2)10(4)13-11(15)5-6-14-9(3)7-17-12(14)16/h7-8,10H,5-6H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyMCWZDTJEPSFGIZ-JTQLQIEISA-N
XLogP1.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 41090948) is N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)N[C@@H](C)C(C)C.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is MCWZDTJEPSFGIZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)10(4)13-11(15)5-6-14-9(3)7-17-12(14)16/h7-8,10H,5-6H2,1-4H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 256.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 41090948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).