[5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate

C10H5Cl2NO3S — CID 70365390

IUPAC[5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1ncsc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2NO3S/c11-6-2-1-5(3-7(6)12)8-9(13-4-17-8)16-10(14)15/h1-4H,(H,14,15)
InChIKeyQPFRRGWWESQLDD-UHFFFAOYSA-N
MW290.13 g/mol
LogP4.17
Rot. Bonds2

About [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate

[5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate (PubChem CID 70365390) has the molecular formula C10H5Cl2NO3S and a molecular weight of 290.13 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate
PubChem CID70365390
Molecular FormulaC10H5Cl2NO3S
Molecular Weight290.13 g/mol
Exact Mass288.94
IUPAC Name[5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1ncsc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2NO3S/c11-6-2-1-5(3-7(6)12)8-9(13-4-17-8)16-10(14)15/h1-4H,(H,14,15)
InChIKeyQPFRRGWWESQLDD-UHFFFAOYSA-N
XLogP4.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate?
The IUPAC name of [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate (CID 70365390) is [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate?
The canonical SMILES for [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate is O=C(O)Oc1ncsc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate?
The InChIKey is QPFRRGWWESQLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3S/c11-6-2-1-5(3-7(6)12)8-9(13-4-17-8)16-10(14)15/h1-4H,(H,14,15).
What are the key properties of [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate?
[5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate has a molecular weight of 290.13 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)-1,3-thiazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 70365390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).