(2-chloro-1,3-thiazol-5-yl) benzoate

C10H6ClNO2S — CID 174619966

IUPAC(2-chloro-1,3-thiazol-5-yl) benzoate
SMILESO=C(Oc1cnc(Cl)s1)c1ccccc1
InChIInChI=1S/C10H6ClNO2S/c11-10-12-6-8(15-10)14-9(13)7-4-2-1-3-5-7/h1-6H
InChIKeyGDRDGIPCEGGJRN-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.02
Rot. Bonds2

About (2-chloro-1,3-thiazol-5-yl) benzoate

(2-chloro-1,3-thiazol-5-yl) benzoate (PubChem CID 174619966) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl) benzoate.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl) benzoate
PubChem CID174619966
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name(2-chloro-1,3-thiazol-5-yl) benzoate
SMILESO=C(Oc1cnc(Cl)s1)c1ccccc1
InChIInChI=1S/C10H6ClNO2S/c11-10-12-6-8(15-10)14-9(13)7-4-2-1-3-5-7/h1-6H
InChIKeyGDRDGIPCEGGJRN-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

thieno[2,3-b]pyridin-2-yl benzoate
CID 167343123
(2,3,4,5,6-pentachlorophenyl) benzoate
CID 5088256
(5-iodo-2-pyridinyl) benzoate
CID 54500343
chloro benzoate;thiophene
CID 175145000
chloro acetate;chloro benzoate
CID 68991315
(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate
CID 569567
(2-chloro-1,3-thiazol-5-yl)methyl 4-iodobenzoate
CID 1479754
(2-methylsulfanylpyrimidin-5-yl) benzoate
CID 144595634
(4,6-dimethylpyrimidin-2-yl) benzoate
CID 835169
chloro benzoate;prop-2-enoic acid
CID 174644875
phenyl benzoate;sulfuryl dichloride
CID 162241119
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl) benzoate?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl) benzoate (CID 174619966) is (2-chloro-1,3-thiazol-5-yl) benzoate.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl) benzoate?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl) benzoate is O=C(Oc1cnc(Cl)s1)c1ccccc1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl) benzoate?
The InChIKey is GDRDGIPCEGGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-10-12-6-8(15-10)14-9(13)7-4-2-1-3-5-7/h1-6H.
What are the key properties of (2-chloro-1,3-thiazol-5-yl) benzoate?
(2-chloro-1,3-thiazol-5-yl) benzoate has a molecular weight of 239.68 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl) benzoate is sourced from PubChem (CID 174619966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).