N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide

C16H14ClN5O2S — CID 121028174

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H14ClN5O2S/c17-10-1-2-11-13(9-10)25-16(18-11)19-15(23)12-3-4-14(21-20-12)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H,18,19,23)
InChIKeyFEIXBUYUBXBPCO-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.83
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 121028174) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID121028174
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C16H14ClN5O2S/c17-10-1-2-11-13(9-10)25-16(18-11)19-15(23)12-3-4-14(21-20-12)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H,18,19,23)
InChIKeyFEIXBUYUBXBPCO-UHFFFAOYSA-N
XLogP2.83
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143056
N-[(2,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028270
N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine
CID 83018453
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide (CID 121028174) is N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is FEIXBUYUBXBPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c17-10-1-2-11-13(9-10)25-16(18-11)19-15(23)12-3-4-14(21-20-12)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H,18,19,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).