1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid

C10H9BrN4O2S — CID 107967099

IUPAC1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2csc(Br)c2)CC1
InChIInChI=1S/C10H9BrN4O2S/c11-7-3-6(4-18-7)8-12-13-14-15(8)5-10(1-2-10)9(16)17/h3-4H,1-2,5H2,(H,16,17)
InChIKeyTZISMTIFNJKYSI-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.03
Rot. Bonds4

About 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid

1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 107967099) has the molecular formula C10H9BrN4O2S and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID107967099
Molecular FormulaC10H9BrN4O2S
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC Name1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2csc(Br)c2)CC1
InChIInChI=1S/C10H9BrN4O2S/c11-7-3-6(4-18-7)8-12-13-14-15(8)5-10(1-2-10)9(16)17/h3-4H,1-2,5H2,(H,16,17)
InChIKeyTZISMTIFNJKYSI-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688
1-[[5-(1-methylpyrazol-4-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312694
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447220
4-[(5-phenyltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440727
1-[[5-(thiadiazol-4-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311520
1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447118
1-[[5-(furan-3-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437088
1-[[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 107995350
1-[[5-(2-chloro-4-fluorophenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451940
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447213

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 107967099) is 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2-c2csc(Br)c2)CC1.
What is the InChIKey of 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is TZISMTIFNJKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2S/c11-7-3-6(4-18-7)8-12-13-14-15(8)5-10(1-2-10)9(16)17/h3-4H,1-2,5H2,(H,16,17).
What are the key properties of 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 329.18 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107967099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).