3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one

C19H15ClN4O2S — CID 71731024

IUPAC3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
SMILESO=c1oc2cc(N3CCNCC3)ncc2cc1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C19H15ClN4O2S/c20-13-2-1-3-15-17(13)23-18(27-15)12-8-11-10-22-16(9-14(11)26-19(12)25)24-6-4-21-5-7-24/h1-3,8-10,21H,4-7H2
InChIKeyDSNMEXZHKJAMLN-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.53
Rot. Bonds2

About 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one

3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one (PubChem CID 71731024) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
PubChem CID71731024
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
SMILESO=c1oc2cc(N3CCNCC3)ncc2cc1-c1nc2c(Cl)cccc2s1
InChIInChI=1S/C19H15ClN4O2S/c20-13-2-1-3-15-17(13)23-18(27-15)12-8-11-10-22-16(9-14(11)26-19(12)25)24-6-4-21-5-7-24/h1-3,8-10,21H,4-7H2
InChIKeyDSNMEXZHKJAMLN-UHFFFAOYSA-N
XLogP3.53
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
The IUPAC name of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one (CID 71731024) is 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
The canonical SMILES for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one is O=c1oc2cc(N3CCNCC3)ncc2cc1-c1nc2c(Cl)cccc2s1.
What is the InChIKey of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
The InChIKey is DSNMEXZHKJAMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-13-2-1-3-15-17(13)23-18(27-15)12-8-11-10-22-16(9-14(11)26-19(12)25)24-6-4-21-5-7-24/h1-3,8-10,21H,4-7H2.
What are the key properties of 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one?
3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one has a molecular weight of 398.88 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one is sourced from PubChem (CID 71731024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).