6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one

C18H20ClN5O2S — CID 163352237

IUPAC6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one
SMILESCCn1nc(N2CCN(c3nc4c(OC)ccc(Cl)c4s3)CC2)ccc1=O
InChIInChI=1S/C18H20ClN5O2S/c1-3-24-15(25)7-6-14(21-24)22-8-10-23(11-9-22)18-20-16-13(26-2)5-4-12(19)17(16)27-18/h4-7H,3,8-11H2,1-2H3
InChIKeyLRDDFWDTLMTXOM-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.86
Rot. Bonds4

About 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one

6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one (PubChem CID 163352237) has the molecular formula C18H20ClN5O2S and a molecular weight of 405.91 g/mol. Its IUPAC name is 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one
PubChem CID163352237
Molecular FormulaC18H20ClN5O2S
Molecular Weight405.91 g/mol
Exact Mass405.10
IUPAC Name6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one
SMILESCCn1nc(N2CCN(c3nc4c(OC)ccc(Cl)c4s3)CC2)ccc1=O
InChIInChI=1S/C18H20ClN5O2S/c1-3-24-15(25)7-6-14(21-24)22-8-10-23(11-9-22)18-20-16-13(26-2)5-4-12(19)17(16)27-18/h4-7H,3,8-11H2,1-2H3
InChIKeyLRDDFWDTLMTXOM-UHFFFAOYSA-N
XLogP2.86
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one?
The IUPAC name of 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one (CID 163352237) is 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one?
The canonical SMILES for 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one is CCn1nc(N2CCN(c3nc4c(OC)ccc(Cl)c4s3)CC2)ccc1=O.
What is the InChIKey of 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one?
The InChIKey is LRDDFWDTLMTXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2S/c1-3-24-15(25)7-6-14(21-24)22-8-10-23(11-9-22)18-20-16-13(26-2)5-4-12(19)17(16)27-18/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one?
6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one has a molecular weight of 405.91 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-ethylpyridazin-3-one is sourced from PubChem (CID 163352237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).