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

C12H16N2OS2 — CID 113480227

IUPACN-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCS(=O)CCNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C12H16N2OS2/c1-17(15)8-7-13-12-14-9-11(16-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)
InChIKeyCAXGNVFLPHLZFH-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.80
Rot. Bonds4

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

N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113480227) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113480227
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCS(=O)CCNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C12H16N2OS2/c1-17(15)8-7-13-12-14-9-11(16-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)
InChIKeyCAXGNVFLPHLZFH-UHFFFAOYSA-N
XLogP1.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113480227) is N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CS(=O)CCNC1=NCC(c2ccccc2)S1.
What is the InChIKey of N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CAXGNVFLPHLZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-17(15)8-7-13-12-14-9-11(16-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14).
What are the key properties of N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113480227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).