1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one

C19H19N5O2S — CID 158094840

IUPAC1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
SMILESCc1nnc(-c2ccc3cnc(CC(=O)CN4C[C@@H]5C[C@H]4CO5)cc3n2)s1
InChIInChI=1S/C19H19N5O2S/c1-11-22-23-19(27-11)17-3-2-12-7-20-13(5-18(12)21-17)4-15(25)8-24-9-16-6-14(24)10-26-16/h2-3,5,7,14,16H,4,6,8-10H2,1H3/t14-,16-/m0/s1
InChIKeyFONSVACONUAIKK-HOCLYGCPSA-N
MW381.46 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one

1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one (PubChem CID 158094840) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
PubChem CID158094840
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
SMILESCc1nnc(-c2ccc3cnc(CC(=O)CN4C[C@@H]5C[C@H]4CO5)cc3n2)s1
InChIInChI=1S/C19H19N5O2S/c1-11-22-23-19(27-11)17-3-2-12-7-20-13(5-18(12)21-17)4-15(25)8-24-9-16-6-14(24)10-26-16/h2-3,5,7,14,16H,4,6,8-10H2,1H3/t14-,16-/m0/s1
InChIKeyFONSVACONUAIKK-HOCLYGCPSA-N
XLogP2.04
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one with MolForge

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Related Compounds

1-[6-(2-methyl-1,3-thiazol-5-yl)cinnolin-3-yl]-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
CID 160735677
1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
CID 161045935
2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 147019913
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162225064
1-[1-(2-fluoroethyl)piperidin-4-yl]-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159054855
(1R,4R)-5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 138588528
1-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
CID 159928967
1-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-3-morpholin-4-ylpropan-2-one
CID 153111580
4-(1,3-difluoropropan-2-ylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138586981
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
CID 159595105
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
CID 138589977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one?
The IUPAC name of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one (CID 158094840) is 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one is Cc1nnc(-c2ccc3cnc(CC(=O)CN4C[C@@H]5C[C@H]4CO5)cc3n2)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one?
The InChIKey is FONSVACONUAIKK-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11-22-23-19(27-11)17-3-2-12-7-20-13(5-18(12)21-17)4-15(25)8-24-9-16-6-14(24)10-26-16/h2-3,5,7,14,16H,4,6,8-10H2,1H3/t14-,16-/m0/s1.
What are the key properties of 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one?
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one has a molecular weight of 381.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one is sourced from PubChem (CID 158094840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).