1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole

C12H9ClN4S — CID 11673524

IUPAC1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole
SMILESClc1ccc(-c2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C12H9ClN4S/c13-11-7-6-10(18-11)12-14-15-16-17(12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOZHRHENMBPTJRS-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.10
Rot. Bonds3

About 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole

1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole (PubChem CID 11673524) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole
PubChem CID11673524
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole
SMILESClc1ccc(-c2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C12H9ClN4S/c13-11-7-6-10(18-11)12-14-15-16-17(12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOZHRHENMBPTJRS-UHFFFAOYSA-N
XLogP3.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-chlorotetrazole
CID 46835417
1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311517
2-(1-benzyltetrazol-5-yl)pyridine
CID 86063303
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
4-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 115440752
1-benzyltetrazole-5-carboxamide
CID 122714819
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
CID 18707764
2-[5-(5-phenylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427378
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
CID 103298118
1-benzyl-5-(trichloromethyl)tetrazole
CID 69032127

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole?
The IUPAC name of 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole (CID 11673524) is 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole?
The canonical SMILES for 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole is Clc1ccc(-c2nnnn2Cc2ccccc2)s1.
What is the InChIKey of 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole?
The InChIKey is OZHRHENMBPTJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c13-11-7-6-10(18-11)12-14-15-16-17(12)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole?
1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole has a molecular weight of 276.75 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole is sourced from PubChem (CID 11673524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).