4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C15H13FN2OS2 — CID 2448788

IUPAC4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN2OS2/c1-9-13(10(2)19-18-9)7-20-15-17-14(8-21-15)11-3-5-12(16)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyLQWXUEPXNBCCAV-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.85
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 2448788) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID2448788
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN2OS2/c1-9-13(10(2)19-18-9)7-20-15-17-14(8-21-15)11-3-5-12(16)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyLQWXUEPXNBCCAV-UHFFFAOYSA-N
XLogP4.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649216
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
CID 1479634
4-(1,3-Benzothiazol-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 2392415
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8839149
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24979991
5-Methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745330
2-[4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
CID 2742487
3-Methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
CID 2745855
2-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-oxopropanenitrile
CID 16267035
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 36968025
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
CID 52601838

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 2448788) is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CSc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is LQWXUEPXNBCCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c1-9-13(10(2)19-18-9)7-20-15-17-14(8-21-15)11-3-5-12(16)6-4-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 320.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 2448788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).