benzoic acid;1,3-thiazole

C10H9NO2S — CID 19006074

IUPACbenzoic acid;1,3-thiazole
SMILESO=C(O)c1ccccc1.c1cscn1
InChIInChI=1S/C7H6O2.C3H3NS/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H,(H,8,9);1-3H
InChIKeyYBUKABLRJZUEQA-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.53
Rot. Bonds1

About benzoic acid;1,3-thiazole

benzoic acid;1,3-thiazole (PubChem CID 19006074) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is benzoic acid;1,3-thiazole.

Molecular Properties

Compound Namebenzoic acid;1,3-thiazole
PubChem CID19006074
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Namebenzoic acid;1,3-thiazole
SMILESO=C(O)c1ccccc1.c1cscn1
InChIInChI=1S/C7H6O2.C3H3NS/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H,(H,8,9);1-3H
InChIKeyYBUKABLRJZUEQA-UHFFFAOYSA-N
XLogP2.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;1,3-thiazole?
The IUPAC name of benzoic acid;1,3-thiazole (CID 19006074) is benzoic acid;1,3-thiazole.
What is the SMILES notation for benzoic acid;1,3-thiazole?
The canonical SMILES for benzoic acid;1,3-thiazole is O=C(O)c1ccccc1.c1cscn1.
What is the InChIKey of benzoic acid;1,3-thiazole?
The InChIKey is YBUKABLRJZUEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C3H3NS/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H,(H,8,9);1-3H.
What are the key properties of benzoic acid;1,3-thiazole?
benzoic acid;1,3-thiazole has a molecular weight of 207.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;1,3-thiazole is sourced from PubChem (CID 19006074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).