1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

C19H27N5O2S — CID 30185790

IUPAC1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)ccc1=O
InChIInChI=1S/C19H27N5O2S/c1-3-4-9-24-17(25)6-5-16(22-24)18(26)21-19-20-15(13-27-19)12-23-10-7-14(2)8-11-23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,21,26)
InChIKeyLVYKCTMITRKOAJ-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.98
Rot. Bonds7

About 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 30185790) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
PubChem CID30185790
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)ccc1=O
InChIInChI=1S/C19H27N5O2S/c1-3-4-9-24-17(25)6-5-16(22-24)18(26)21-19-20-15(13-27-19)12-23-10-7-14(2)8-11-23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,21,26)
InChIKeyLVYKCTMITRKOAJ-UHFFFAOYSA-N
XLogP2.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide (CID 30185790) is 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)ccc1=O.
What is the InChIKey of 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is LVYKCTMITRKOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-3-4-9-24-17(25)6-5-16(22-24)18(26)21-19-20-15(13-27-19)12-23-10-7-14(2)8-11-23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,21,26).
What are the key properties of 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30185790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).