N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C13H18N2O2S2 — CID 64643237

IUPACN-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CS(C)(=O)=O)NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C13H18N2O2S2/c1-10(9-19(2,16)17)14-13-15-12(8-18-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,15)
InChIKeyBPEUTVKSOQPWBA-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.85
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 64643237) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID64643237
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CS(C)(=O)=O)NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C13H18N2O2S2/c1-10(9-19(2,16)17)14-13-15-12(8-18-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,15)
InChIKeyBPEUTVKSOQPWBA-UHFFFAOYSA-N
XLogP1.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 64643237) is N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CC(CS(C)(=O)=O)NC1=NC(c2ccccc2)CS1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BPEUTVKSOQPWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-10(9-19(2,16)17)14-13-15-12(8-18-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 298.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 64643237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).