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

C16H10BrN5S2 — CID 18778747

IUPAC2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
SMILESBrc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H10BrN5S2/c17-12-6-8-13(9-7-12)22-15(19-20-21-22)24-16-18-14(10-23-16)11-4-2-1-3-5-11/h1-10H
InChIKeyVICKAXBVUGKSCE-UHFFFAOYSA-N
MW416.33 g/mol
LogP4.70
Rot. Bonds4

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

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole (PubChem CID 18778747) has the molecular formula C16H10BrN5S2 and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
PubChem CID18778747
Molecular FormulaC16H10BrN5S2
Molecular Weight416.33 g/mol
Exact Mass414.96
IUPAC Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
SMILESBrc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H10BrN5S2/c17-12-6-8-13(9-7-12)22-15(19-20-21-22)24-16-18-14(10-23-16)11-4-2-1-3-5-11/h1-10H
InChIKeyVICKAXBVUGKSCE-UHFFFAOYSA-N
XLogP4.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzoic acid
CID 18708609
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-(trifluoromethyl)-1,3-thiazole
CID 133464829
2-(1-benzyltetrazol-5-yl)sulfanyl-4-phenyl-1,3-thiazole
CID 18708946
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708376
2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
CID 18707614
4-(4-chlorophenyl)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709240
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3939996
4-[5-[2-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propyl]sulfanyltetrazol-1-yl]benzoic acid
CID 163542926
4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide
CID 18708224
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole (CID 18778747) is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole is Brc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole?
The InChIKey is VICKAXBVUGKSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5S2/c17-12-6-8-13(9-7-12)22-15(19-20-21-22)24-16-18-14(10-23-16)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole?
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole has a molecular weight of 416.33 g/mol, XLogP of 4.70, 4 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-phenyl-1,3-thiazole is sourced from PubChem (CID 18778747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).