(4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole

C13H15F2NOS2 — CID 97065727

IUPAC(4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CSC(S[C@H](C)c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C13H15F2NOS2/c1-8-7-18-13(16-8)19-9(2)10-3-5-11(6-4-10)17-12(14)15/h3-6,8-9,12H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNXDIYTKYIHESHN-RKDXNWHRSA-N
MW303.40 g/mol
LogP4.57
Rot. Bonds4

About (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole

(4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 97065727) has the molecular formula C13H15F2NOS2 and a molecular weight of 303.40 g/mol. Its IUPAC name is (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID97065727
Molecular FormulaC13H15F2NOS2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name(4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CSC(S[C@H](C)c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C13H15F2NOS2/c1-8-7-18-13(16-8)19-9(2)10-3-5-11(6-4-10)17-12(14)15/h3-6,8-9,12H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNXDIYTKYIHESHN-RKDXNWHRSA-N
XLogP4.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole with MolForge

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Related Compounds

5-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-1H-1,2,4-triazole
CID 94198987
2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole
CID 60585452
2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 52504711
4-benzyl-3-cyclopropyl-5-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-1,2,4-triazole
CID 52747323
4-amino-2-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanylpyrimidine-5-carbonitrile
CID 94797218
5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine
CID 66243086
1-[4-(difluoromethoxy)phenyl]-N-(1,4-dithian-2-ylmethyl)ethanamine
CID 115727418
3-[1-[4-(difluoromethoxy)phenyl]ethylsulfanylmethyl]-4,5-dimethyl-1,2,4-triazole
CID 84596237
3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanylmethyl]-4,5-dimethyl-1,2,4-triazole
CID 97108786
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105041901
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82733160
3-[4-(difluoromethoxy)phenyl]-7-methyl-1,4-thiazepane
CID 66226934

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole (CID 97065727) is (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole is C[C@@H]1CSC(S[C@H](C)c2ccc(OC(F)F)cc2)=N1.
What is the InChIKey of (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is NXDIYTKYIHESHN-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H15F2NOS2/c1-8-7-18-13(16-8)19-9(2)10-3-5-11(6-4-10)17-12(14)15/h3-6,8-9,12H,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole?
(4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 303.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 97065727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).