(3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate

C14H10Cl2N4O2S — CID 8677471

IUPAC(3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccsc2)n1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O2S/c15-11-2-1-9(5-12(11)16)7-22-13(21)6-20-18-14(17-19-20)10-3-4-23-8-10/h1-5,8H,6-7H2
InChIKeyUKQWEFYOXJQISA-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.45
Rot. Bonds5

About (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate

(3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate (PubChem CID 8677471) has the molecular formula C14H10Cl2N4O2S and a molecular weight of 369.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
PubChem CID8677471
Molecular FormulaC14H10Cl2N4O2S
Molecular Weight369.23 g/mol
Exact Mass367.99
IUPAC Name(3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccsc2)n1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O2S/c15-11-2-1-9(5-12(11)16)7-22-13(21)6-20-18-14(17-19-20)10-3-4-23-8-10/h1-5,8H,6-7H2
InChIKeyUKQWEFYOXJQISA-UHFFFAOYSA-N
XLogP3.45
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677472
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
1,3-benzothiazol-2-ylmethyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677714
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677562
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677881
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677564
N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
CID 9128168
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate (CID 8677471) is (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate is O=C(Cn1nnc(-c2ccsc2)n1)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The InChIKey is UKQWEFYOXJQISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2S/c15-11-2-1-9(5-12(11)16)7-22-13(21)6-20-18-14(17-19-20)10-3-4-23-8-10/h1-5,8H,6-7H2.
What are the key properties of (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
(3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate has a molecular weight of 369.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8677471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).