6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

C15H18N4O2S — CID 17486060

IUPAC6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)ccc1=O
InChIInChI=1S/C15H18N4O2S/c1-2-9-19-13(20)8-7-11(18-19)14(21)17-15-16-10-5-3-4-6-12(10)22-15/h7-8H,2-6,9H2,1H3,(H,16,17,21)
InChIKeyZMKROUMNXOLRRY-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.24
Rot. Bonds4

About 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 17486060) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
PubChem CID17486060
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)ccc1=O
InChIInChI=1S/C15H18N4O2S/c1-2-9-19-13(20)8-7-11(18-19)14(21)17-15-16-10-5-3-4-6-12(10)22-15/h7-8H,2-6,9H2,1H3,(H,16,17,21)
InChIKeyZMKROUMNXOLRRY-UHFFFAOYSA-N
XLogP2.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (CID 17486060) is 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is ZMKROUMNXOLRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-9-19-13(20)8-7-11(18-19)14(21)17-15-16-10-5-3-4-6-12(10)22-15/h7-8H,2-6,9H2,1H3,(H,16,17,21).
What are the key properties of 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 17486060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).