4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

C19H25N5O2S — CID 126863908

IUPAC4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc(=O)n(CC2CCN(C(=O)Nc3nc4c(s3)CCCC4)CC2)n1
InChIInChI=1S/C19H25N5O2S/c1-13-6-7-17(25)24(22-13)12-14-8-10-23(11-9-14)19(26)21-18-20-15-4-2-3-5-16(15)27-18/h6-7,14H,2-5,8-12H2,1H3,(H,20,21,26)
InChIKeyYUHRIEKPQDMWBN-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.83
Rot. Bonds3

About 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 126863908) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID126863908
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc(=O)n(CC2CCN(C(=O)Nc3nc4c(s3)CCCC4)CC2)n1
InChIInChI=1S/C19H25N5O2S/c1-13-6-7-17(25)24(22-13)12-14-8-10-23(11-9-14)19(26)21-18-20-15-4-2-3-5-16(15)27-18/h6-7,14H,2-5,8-12H2,1H3,(H,20,21,26)
InChIKeyYUHRIEKPQDMWBN-UHFFFAOYSA-N
XLogP2.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 126863908) is 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is Cc1ccc(=O)n(CC2CCN(C(=O)Nc3nc4c(s3)CCCC4)CC2)n1.
What is the InChIKey of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is YUHRIEKPQDMWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-13-6-7-17(25)24(22-13)12-14-8-10-23(11-9-14)19(26)21-18-20-15-4-2-3-5-16(15)27-18/h6-7,14H,2-5,8-12H2,1H3,(H,20,21,26).
What are the key properties of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126863908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).