6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one

C14H13N3OS — CID 72920970

IUPAC6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one
SMILESCCc1nc(Cn2ccc3ncccc3c2=O)cs1
InChIInChI=1S/C14H13N3OS/c1-2-13-16-10(9-19-13)8-17-7-5-12-11(14(17)18)4-3-6-15-12/h3-7,9H,2,8H2,1H3
InChIKeyNTDGIMIRZWTDRD-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.46
Rot. Bonds3

About 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one

6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one (PubChem CID 72920970) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one
PubChem CID72920970
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one
SMILESCCc1nc(Cn2ccc3ncccc3c2=O)cs1
InChIInChI=1S/C14H13N3OS/c1-2-13-16-10(9-19-13)8-17-7-5-12-11(14(17)18)4-3-6-15-12/h3-7,9H,2,8H2,1H3
InChIKeyNTDGIMIRZWTDRD-UHFFFAOYSA-N
XLogP2.46
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167
6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
CID 72941227
6-(3-pyrazol-1-ylpropyl)-1,6-naphthyridin-5-one
CID 72935300
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 17483318
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
2-ethyl-4-[(7-nitroindol-1-yl)methyl]-1,3-thiazole
CID 75469975
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66408636
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 82738200
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrole-3-carbaldehyde
CID 66410097
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one (CID 72920970) is 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one is CCc1nc(Cn2ccc3ncccc3c2=O)cs1.
What is the InChIKey of 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one?
The InChIKey is NTDGIMIRZWTDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-13-16-10(9-19-13)8-17-7-5-12-11(14(17)18)4-3-6-15-12/h3-7,9H,2,8H2,1H3.
What are the key properties of 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one?
6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one has a molecular weight of 271.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 72920970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).