(4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone

C14H8ClNOS — CID 11288805

IUPAC(4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C14H8ClNOS/c15-10-7-4-8-11-12(10)16-14(18-11)13(17)9-5-2-1-3-6-9/h1-8H
InChIKeyVZLIREJJMYRHBN-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.18
Rot. Bonds2

About (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone

(4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone (PubChem CID 11288805) has the molecular formula C14H8ClNOS and a molecular weight of 273.74 g/mol. Its IUPAC name is (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone
PubChem CID11288805
Molecular FormulaC14H8ClNOS
Molecular Weight273.74 g/mol
Exact Mass273.00
IUPAC Name(4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C14H8ClNOS/c15-10-7-4-8-11-12(10)16-14(18-11)13(17)9-5-2-1-3-6-9/h1-8H
InChIKeyVZLIREJJMYRHBN-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone?
The IUPAC name of (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone (CID 11288805) is (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone.
What is the SMILES notation for (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone?
The canonical SMILES for (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone is O=C(c1ccccc1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone?
The InChIKey is VZLIREJJMYRHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNOS/c15-10-7-4-8-11-12(10)16-14(18-11)13(17)9-5-2-1-3-6-9/h1-8H.
What are the key properties of (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone?
(4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone has a molecular weight of 273.74 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-benzothiazol-2-yl)-phenylmethanone is sourced from PubChem (CID 11288805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).