1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine

C15H13Cl2N5S — CID 11523472

IUPAC1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine
SMILESCSc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5S/c1-23-13-8-3-2-5-10(13)9-18-15-19-20-21-22(15)12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyYJBCUGVZUWUTAV-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.30
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine (PubChem CID 11523472) has the molecular formula C15H13Cl2N5S and a molecular weight of 366.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine
PubChem CID11523472
Molecular FormulaC15H13Cl2N5S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine
SMILESCSc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5S/c1-23-13-8-3-2-5-10(13)9-18-15-19-20-21-22(15)12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyYJBCUGVZUWUTAV-UHFFFAOYSA-N
XLogP4.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine (CID 11523472) is 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine is CSc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The InChIKey is YJBCUGVZUWUTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5S/c1-23-13-8-3-2-5-10(13)9-18-15-19-20-21-22(15)12-7-4-6-11(16)14(12)17/h2-8H,9H2,1H3,(H,18,19,21).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine has a molecular weight of 366.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(2-methylsulfanylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 11523472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).