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

C18H14N6O4S3 — CID 18709271

IUPAC2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C18H14N6O4S3/c25-16(26)10-13-11-29-18(19-13)30-17-20-22-23-24(17)14-6-8-15(9-7-14)31(27,28)21-12-4-2-1-3-5-12/h1-9,11,21H,10H2,(H,25,26)
InChIKeyJWZVWECCPDHVQT-UHFFFAOYSA-N
MW474.55 g/mol
LogP2.70
Rot. Bonds8

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

2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 18709271) has the molecular formula C18H14N6O4S3 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
PubChem CID18709271
Molecular FormulaC18H14N6O4S3
Molecular Weight474.55 g/mol
Exact Mass474.02
IUPAC Name2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C18H14N6O4S3/c25-16(26)10-13-11-29-18(19-13)30-17-20-22-23-24(17)14-6-8-15(9-7-14)31(27,28)21-12-4-2-1-3-5-12/h1-9,11,21H,10H2,(H,25,26)
InChIKeyJWZVWECCPDHVQT-UHFFFAOYSA-N
XLogP2.70
TPSA139.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid (CID 18709271) is 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JWZVWECCPDHVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O4S3/c25-16(26)10-13-11-29-18(19-13)30-17-20-22-23-24(17)14-6-8-15(9-7-14)31(27,28)21-12-4-2-1-3-5-12/h1-9,11,21H,10H2,(H,25,26).
What are the key properties of 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 474.55 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 18709271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).