2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid

C14H13N5O2S2 — CID 70263572

IUPAC2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESCCc1ccccc1-n1nnnc1Sc1nc(CC(=O)O)cs1
InChIInChI=1S/C14H13N5O2S2/c1-2-9-5-3-4-6-11(9)19-13(16-17-18-19)23-14-15-10(8-22-14)7-12(20)21/h3-6,8H,2,7H2,1H3,(H,20,21)
InChIKeyAHMUFJFVESBWOD-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.46
Rot. Bonds6

About 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid

2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 70263572) has the molecular formula C14H13N5O2S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
PubChem CID70263572
Molecular FormulaC14H13N5O2S2
Molecular Weight347.43 g/mol
Exact Mass347.05
IUPAC Name2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESCCc1ccccc1-n1nnnc1Sc1nc(CC(=O)O)cs1
InChIInChI=1S/C14H13N5O2S2/c1-2-9-5-3-4-6-11(9)19-13(16-17-18-19)23-14-15-10(8-22-14)7-12(20)21/h3-6,8H,2,7H2,1H3,(H,20,21)
InChIKeyAHMUFJFVESBWOD-UHFFFAOYSA-N
XLogP2.46
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 70263093
2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 18709271
4-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzoic acid
CID 18708609
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
2-[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 18708550
2-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]acetic acid
CID 43671428
2-[2-(3-phenylpentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 63081510
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
CID 18778747
2-[2-(2-ethyl-2-hydroxybutyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 114491433
2-[2-[(6-propanoyl-3-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 115938820
N-(4-ethylphenyl)-N-[4-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16508654
2-(1-benzyltetrazol-5-yl)sulfanyl-4-phenyl-1,3-thiazole
CID 18708946

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid (CID 70263572) is 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid is CCc1ccccc1-n1nnnc1Sc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AHMUFJFVESBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2/c1-2-9-5-3-4-6-11(9)19-13(16-17-18-19)23-14-15-10(8-22-14)7-12(20)21/h3-6,8H,2,7H2,1H3,(H,20,21).
What are the key properties of 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 347.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 70263572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).