2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

C16H20N4O2S — CID 126939579

IUPAC2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1NCc1cncs1)CCCC2
InChIInChI=1S/C16H20N4O2S/c21-16-5-11-3-1-2-4-13(11)19-20(16)15-9-22-8-14(15)18-7-12-6-17-10-23-12/h5-6,10,14-15,18H,1-4,7-9H2
InChIKeyPQUFFKJATLUUTO-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126939579) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126939579
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1NCc1cncs1)CCCC2
InChIInChI=1S/C16H20N4O2S/c21-16-5-11-3-1-2-4-13(11)19-20(16)15-9-22-8-14(15)18-7-12-6-17-10-23-12/h5-6,10,14-15,18H,1-4,7-9H2
InChIKeyPQUFFKJATLUUTO-UHFFFAOYSA-N
XLogP1.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939365
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939611
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939332
2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939335
2-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939512
2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939386
2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939567
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide
CID 126939478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126939579) is 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1COCC1NCc1cncs1)CCCC2.
What is the InChIKey of 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is PQUFFKJATLUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16-5-11-3-1-2-4-13(11)19-20(16)15-9-22-8-14(15)18-7-12-6-17-10-23-12/h5-6,10,14-15,18H,1-4,7-9H2.
What are the key properties of 2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 332.43 g/mol, XLogP of 1.31, 4 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-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126939579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).