2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one

C14H18N4OS — CID 126934445

IUPAC2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2cncs2)CC1
InChIInChI=1S/C14H18N4OS/c19-14-2-1-7-17-18(14)12-5-3-11(4-6-12)16-9-13-8-15-10-20-13/h1-2,7-8,10-12,16H,3-6,9H2
InChIKeyJYKBQCGPWTVEQP-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one

2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934445) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934445
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2cncs2)CC1
InChIInChI=1S/C14H18N4OS/c19-14-2-1-7-17-18(14)12-5-3-11(4-6-12)16-9-13-8-15-10-20-13/h1-2,7-8,10-12,16H,3-6,9H2
InChIKeyJYKBQCGPWTVEQP-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one (CID 126934445) is 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(NCc2cncs2)CC1.
What is the InChIKey of 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is JYKBQCGPWTVEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14-2-1-7-17-18(14)12-5-3-11(4-6-12)16-9-13-8-15-10-20-13/h1-2,7-8,10-12,16H,3-6,9H2.
What are the key properties of 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one?
2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 290.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).