4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole

C14H9F2NS2 — CID 4845446

IUPAC4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1sc(-c2cccs2)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2NS2/c1-8-13(9-4-5-10(15)11(16)7-9)17-14(19-8)12-3-2-6-18-12/h2-7H,1H3
InChIKeyDMTCMXUEZBPEHF-UHFFFAOYSA-N
MW293.36 g/mol
LogP5.13
Rot. Bonds2

About 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole

4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 4845446) has the molecular formula C14H9F2NS2 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID4845446
Molecular FormulaC14H9F2NS2
Molecular Weight293.36 g/mol
Exact Mass293.01
IUPAC Name4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole
SMILESCc1sc(-c2cccs2)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2NS2/c1-8-13(9-4-5-10(15)11(16)7-9)17-14(19-8)12-3-2-6-18-12/h2-7H,1H3
InChIKeyDMTCMXUEZBPEHF-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole (CID 4845446) is 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole is Cc1sc(-c2cccs2)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is DMTCMXUEZBPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NS2/c1-8-13(9-4-5-10(15)11(16)7-9)17-14(19-8)12-3-2-6-18-12/h2-7H,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole?
4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-methyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 4845446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).