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

C15H18N4O2S — CID 118765877

IUPACN,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H18N4O2S/c1-18(15(21)11-7-8-14(20)19(2)17-11)9-13-16-10-5-3-4-6-12(10)22-13/h7-8H,3-6,9H2,1-2H3
InChIKeyQBTUEJTZMXHJLC-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.39
Rot. Bonds3

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

N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 118765877) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID118765877
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H18N4O2S/c1-18(15(21)11-7-8-14(20)19(2)17-11)9-13-16-10-5-3-4-6-12(10)22-13/h7-8H,3-6,9H2,1-2H3
InChIKeyQBTUEJTZMXHJLC-UHFFFAOYSA-N
XLogP1.39
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide (CID 118765877) is N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide is CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is QBTUEJTZMXHJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18(15(21)11-7-8-14(20)19(2)17-11)9-13-16-10-5-3-4-6-12(10)22-13/h7-8H,3-6,9H2,1-2H3.
What are the key properties of N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide?
N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 118765877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).