2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole

C11H10FNS2 — CID 112694957

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FNS2/c1-8-6-15-11(13-8)7-14-10-4-2-9(12)3-5-10/h2-6H,7H2,1H3
InChIKeySHNPVIKUAQGFCW-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.88
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole

2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole (PubChem CID 112694957) has the molecular formula C11H10FNS2 and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole
PubChem CID112694957
Molecular FormulaC11H10FNS2
Molecular Weight239.34 g/mol
Exact Mass239.02
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FNS2/c1-8-6-15-11(13-8)7-14-10-4-2-9(12)3-5-10/h2-6H,7H2,1H3
InChIKeySHNPVIKUAQGFCW-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 2-methyl-4-(2-phenylethynyl)-
CID 10921526
Thiazole, 2-methyl-4-(2-(2-thienyl)ethynyl)-
CID 11535796
4-(3,5-Difluorophenylethynyl)-2-methylthiazole
CID 11543200
4-(2-(3-Fluorophenyl)ethynyl)-2-methylthiazole
CID 11557579
4-(2-Fluorophenylethynyl)-2-methylthiazole
CID 11572058
4-(2-(4-Fluorophenyl)ethynyl)-2-methylthiazole
CID 11550292
Thiazole, 2-ethynyl-4-[2-(3-fluorophenyl)ethynyl]-
CID 11550377
2-(Fluoromethyl)-4-(2-(3-fluorophenyl)ethynylthiazole
CID 16736577
4-Methyl-2-phenylethynyl-thiazole
CID 11769507
4-[(4-Chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2806214
4-{[(4-Bromophenyl)sulfanyl]methyl}-2-methyl-1,3-thiazole
CID 4436164
4-Bromo-2-(4-fluorophenylthio)thiazole
CID 57584960

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole (CID 112694957) is 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole is Cc1csc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The InChIKey is SHNPVIKUAQGFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS2/c1-8-6-15-11(13-8)7-14-10-4-2-9(12)3-5-10/h2-6H,7H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole has a molecular weight of 239.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 112694957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).