2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole

C11H5BrF3N5S2 — CID 133464829

IUPAC2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Sc2nnnn2-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H5BrF3N5S2/c12-6-1-3-7(4-2-6)20-9(17-18-19-20)22-10-16-8(5-21-10)11(13,14)15/h1-5H
InChIKeyYDORSAROHIEKMG-UHFFFAOYSA-N
MW408.23 g/mol
LogP4.05
Rot. Bonds3

About 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133464829) has the molecular formula C11H5BrF3N5S2 and a molecular weight of 408.23 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133464829
Molecular FormulaC11H5BrF3N5S2
Molecular Weight408.23 g/mol
Exact Mass406.91
IUPAC Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Sc2nnnn2-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H5BrF3N5S2/c12-6-1-3-7(4-2-6)20-9(17-18-19-20)22-10-16-8(5-21-10)11(13,14)15/h1-5H
InChIKeyYDORSAROHIEKMG-UHFFFAOYSA-N
XLogP4.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709404
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
CID 18778747
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708376
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide
CID 18708014
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-6-methylsulfonyl-1,3-benzothiazole
CID 18708548
4-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzoic acid
CID 18708609
4-(4-chlorophenyl)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709240
7-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133464852
4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide
CID 18708224
2-[1-(5-bromothiophen-2-yl)tetrazol-5-yl]sulfanyl-4-methyl-1,3-thiazole
CID 18709172
4-[5-[(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzoic acid
CID 18708840

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole (CID 133464829) is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(Sc2nnnn2-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YDORSAROHIEKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3N5S2/c12-6-1-3-7(4-2-6)20-9(17-18-19-20)22-10-16-8(5-21-10)11(13,14)15/h1-5H.
What are the key properties of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 408.23 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133464829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).