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

C10H6BrN5S2 — CID 18708376

IUPAC2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESBrc1ccc(-n2nnnc2Sc2nccs2)cc1
InChIInChI=1S/C10H6BrN5S2/c11-7-1-3-8(4-2-7)16-9(13-14-15-16)18-10-12-5-6-17-10/h1-6H
InChIKeyNIIUKEHUIKHSKQ-UHFFFAOYSA-N
MW340.23 g/mol
LogP3.03
Rot. Bonds3

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

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole (PubChem CID 18708376) has the molecular formula C10H6BrN5S2 and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
PubChem CID18708376
Molecular FormulaC10H6BrN5S2
Molecular Weight340.23 g/mol
Exact Mass338.92
IUPAC Name2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESBrc1ccc(-n2nnnc2Sc2nccs2)cc1
InChIInChI=1S/C10H6BrN5S2/c11-7-1-3-8(4-2-7)16-9(13-14-15-16)18-10-12-5-6-17-10/h1-6H
InChIKeyNIIUKEHUIKHSKQ-UHFFFAOYSA-N
XLogP3.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

4-[5-(1,3-thiazol-2-ylsulfanyl)tetrazol-1-yl]benzoic acid
CID 18709362
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole
CID 133464829
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
CID 18778747
2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 70263093
4-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709404
2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18709066
7-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133464852
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-6-methylsulfonyl-1,3-benzothiazole
CID 18708548
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 61375697
6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile
CID 133464853
7-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133464815
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The IUPAC name of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole (CID 18708376) is 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole is Brc1ccc(-n2nnnc2Sc2nccs2)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The InChIKey is NIIUKEHUIKHSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5S2/c11-7-1-3-8(4-2-7)16-9(13-14-15-16)18-10-12-5-6-17-10/h1-6H.
What are the key properties of 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole has a molecular weight of 340.23 g/mol, XLogP of 3.03, 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-1,3-thiazole is sourced from PubChem (CID 18708376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).