(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine

C20H21N5OS — CID 118081538

IUPAC(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
SMILESCCCO/N=C1\CCN(C)c2ccc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C20H21N5OS/c1-3-11-26-24-16-8-10-25(2)17-7-6-15(23-19(16)17)18-13-22-20(27-18)14-5-4-9-21-12-14/h4-7,9,12-13H,3,8,10-11H2,1-2H3/b24-16+
InChIKeyBUQBKJJYJIKNQY-LFVJCYFKSA-N
MW379.49 g/mol
LogP4.24
Rot. Bonds5

About (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine

(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine (PubChem CID 118081538) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine.

Molecular Properties

Compound Name(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
PubChem CID118081538
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
SMILESCCCO/N=C1\CCN(C)c2ccc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C20H21N5OS/c1-3-11-26-24-16-8-10-25(2)17-7-6-15(23-19(16)17)18-13-22-20(27-18)14-5-4-9-21-12-14/h4-7,9,12-13H,3,8,10-11H2,1-2H3/b24-16+
InChIKeyBUQBKJJYJIKNQY-LFVJCYFKSA-N
XLogP4.24
TPSA63.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
CID 118081640
(E)-N-propoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
CID 118081712
(E)-N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081561
5-methylsulfonyl-N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
CID 123450393
(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-imine
CID 118081752
(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 118081741
5-(1-methylpyrazolo[5,4-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123365126
8-methylsulfonyl-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 123676120
4-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-5,6-dihydro-[1,3]oxazolo[5,4-b]pyridin-7-imine
CID 123848107
4-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82422652
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-7,8-dihydro-6H-1,2,4-benzotriazin-5-imine
CID 123989234
methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123865812

Frequently Asked Questions

What is the IUPAC name of (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine?
The IUPAC name of (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine (CID 118081538) is (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine.
What is the SMILES notation for (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine?
The canonical SMILES for (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine is CCCO/N=C1\CCN(C)c2ccc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine?
The InChIKey is BUQBKJJYJIKNQY-LFVJCYFKSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-3-11-26-24-16-8-10-25(2)17-7-6-15(23-19(16)17)18-13-22-20(27-18)14-5-4-9-21-12-14/h4-7,9,12-13H,3,8,10-11H2,1-2H3/b24-16+.
What are the key properties of (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine?
(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine has a molecular weight of 379.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine is sourced from PubChem (CID 118081538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).