[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine

C7H8ClN5S — CID 83644151

IUPAC[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine
SMILESNCc1nnn(Cc2ccc(Cl)s2)n1
InChIInChI=1S/C7H8ClN5S/c8-6-2-1-5(14-6)4-13-11-7(3-9)10-12-13/h1-2H,3-4,9H2
InChIKeyQCOMPZAADQHHOG-UHFFFAOYSA-N
MW229.70 g/mol
LogP0.89
Rot. Bonds3

About [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine

[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine (PubChem CID 83644151) has the molecular formula C7H8ClN5S and a molecular weight of 229.70 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine
PubChem CID83644151
Molecular FormulaC7H8ClN5S
Molecular Weight229.70 g/mol
Exact Mass229.02
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine
SMILESNCc1nnn(Cc2ccc(Cl)s2)n1
InChIInChI=1S/C7H8ClN5S/c8-6-2-1-5(14-6)4-13-11-7(3-9)10-12-13/h1-2H,3-4,9H2
InChIKeyQCOMPZAADQHHOG-UHFFFAOYSA-N
XLogP0.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.70
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine
CID 83531293
[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718039
[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine
CID 83637113
1-[(5-chlorothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
CID 60911732
[3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752523
1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
CID 60783078
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
CID 63812244
5-methyl-2-[(5-methylthiophen-2-yl)methyl]tetrazole
CID 89032223
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194460
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
1-[(5-chlorothiophen-2-yl)methyl]-5-phenyltriazole-4-carboxylic acid
CID 102642580

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine (CID 83644151) is [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine is NCc1nnn(Cc2ccc(Cl)s2)n1.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine?
The InChIKey is QCOMPZAADQHHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5S/c8-6-2-1-5(14-6)4-13-11-7(3-9)10-12-13/h1-2H,3-4,9H2.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine?
[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine has a molecular weight of 229.70 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 83644151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).