6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide

C17H23N5O2S — CID 30135199

IUPAC6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(CN3CCCCC3)cs2)ccc1=O
InChIInChI=1S/C17H23N5O2S/c1-2-8-22-15(23)7-6-14(20-22)16(24)19-17-18-13(12-25-17)11-21-9-4-3-5-10-21/h6-7,12H,2-5,8-11H2,1H3,(H,18,19,24)
InChIKeyZVYJLLULHPZXDD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.35
Rot. Bonds6

About 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide

6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide (PubChem CID 30135199) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
PubChem CID30135199
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(CN3CCCCC3)cs2)ccc1=O
InChIInChI=1S/C17H23N5O2S/c1-2-8-22-15(23)7-6-14(20-22)16(24)19-17-18-13(12-25-17)11-21-9-4-3-5-10-21/h6-7,12H,2-5,8-11H2,1H3,(H,18,19,24)
InChIKeyZVYJLLULHPZXDD-UHFFFAOYSA-N
XLogP2.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide (CID 30135199) is 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc(CN3CCCCC3)cs2)ccc1=O.
What is the InChIKey of 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
The InChIKey is ZVYJLLULHPZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-2-8-22-15(23)7-6-14(20-22)16(24)19-17-18-13(12-25-17)11-21-9-4-3-5-10-21/h6-7,12H,2-5,8-11H2,1H3,(H,18,19,24).
What are the key properties of 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide?
6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 30135199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).