(4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole

C12H13F2NS — CID 70299758

IUPAC(4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2ccc(C)c(F)c2F)S1
InChIInChI=1S/C12H13F2NS/c1-6-4-5-9(11(14)10(6)13)12-7(2)15-8(3)16-12/h4-5,7,12H,1-3H3/t7-,12?/m1/s1
InChIKeyPOQCTFCTLPOGRT-OJYJAAIMSA-N
MW241.31 g/mol
LogP3.87
Rot. Bonds1

About (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole

(4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 70299758) has the molecular formula C12H13F2NS and a molecular weight of 241.31 g/mol. Its IUPAC name is (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID70299758
Molecular FormulaC12H13F2NS
Molecular Weight241.31 g/mol
Exact Mass241.07
IUPAC Name(4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C)C(c2ccc(C)c(F)c2F)S1
InChIInChI=1S/C12H13F2NS/c1-6-4-5-9(11(14)10(6)13)12-7(2)15-8(3)16-12/h4-5,7,12H,1-3H3/t7-,12?/m1/s1
InChIKeyPOQCTFCTLPOGRT-OJYJAAIMSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (CID 70299758) is (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is CC1=N[C@H](C)C(c2ccc(C)c(F)c2F)S1.
What is the InChIKey of (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is POQCTFCTLPOGRT-OJYJAAIMSA-N. The full InChI is InChI=1S/C12H13F2NS/c1-6-4-5-9(11(14)10(6)13)12-7(2)15-8(3)16-12/h4-5,7,12H,1-3H3/t7-,12?/m1/s1.
What are the key properties of (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
(4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 241.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70299758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).