N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C13H16N2OS — CID 7033951

IUPACN-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCC(=O)N(C1=NC[C@@H](C)S1)c1ccccc1C
InChIInChI=1S/C13H16N2OS/c1-9-6-4-5-7-12(9)15(11(3)16)13-14-8-10(2)17-13/h4-7,10H,8H2,1-3H3/t10-/m1/s1
InChIKeyBZNDAXGKVVRVHO-SNVBAGLBSA-N
MW248.35 g/mol
LogP2.84
Rot. Bonds1

About N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 7033951) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID7033951
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCC(=O)N(C1=NC[C@@H](C)S1)c1ccccc1C
InChIInChI=1S/C13H16N2OS/c1-9-6-4-5-7-12(9)15(11(3)16)13-14-8-10(2)17-13/h4-7,10H,8H2,1-3H3/t10-/m1/s1
InChIKeyBZNDAXGKVVRVHO-SNVBAGLBSA-N
XLogP2.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 7033951) is N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is CC(=O)N(C1=NC[C@@H](C)S1)c1ccccc1C.
What is the InChIKey of N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is BZNDAXGKVVRVHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-6-4-5-7-12(9)15(11(3)16)13-14-8-10(2)17-13/h4-7,10H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 248.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 7033951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).