2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C16H20N4O2S — CID 126936025

IUPAC2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nccs3)CC1)CCOC2
InChIInChI=1S/C16H20N4O2S/c21-15-9-11-10-22-7-5-14(11)19-20(15)13-3-1-12(2-4-13)18-16-17-6-8-23-16/h6,8-9,12-13H,1-5,7,10H2,(H,17,18)
InChIKeyWRCRWCVINVYDMU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds3

About 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936025) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126936025
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nccs3)CC1)CCOC2
InChIInChI=1S/C16H20N4O2S/c21-15-9-11-10-22-7-5-14(11)19-20(15)13-3-1-12(2-4-13)18-16-17-6-8-23-16/h6,8-9,12-13H,1-5,7,10H2,(H,17,18)
InChIKeyWRCRWCVINVYDMU-UHFFFAOYSA-N
XLogP2.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936143
2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936122
2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936057
2-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935813
2-[4-[(3-chloro-4-pyridinyl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936009
2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936054
3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile
CID 126936147
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936168
2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936115
2-[4-[(1,5-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936177
2-[2-[2-[(1,3-thiazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938403
2-[4-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methylamino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936025) is 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3nccs3)CC1)CCOC2.
What is the InChIKey of 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is WRCRWCVINVYDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-15-9-11-10-22-7-5-14(11)19-20(15)13-3-1-12(2-4-13)18-16-17-6-8-23-16/h6,8-9,12-13H,1-5,7,10H2,(H,17,18).
What are the key properties of 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 332.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).