4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole

C17H20FN3OS — CID 86800186

IUPAC4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(CN2CCN(C3CC3)c3ccc(F)cc32)cs1
InChIInChI=1S/C17H20FN3OS/c1-22-10-17-19-13(11-23-17)9-20-6-7-21(14-3-4-14)15-5-2-12(18)8-16(15)20/h2,5,8,11,14H,3-4,6-7,9-10H2,1H3
InChIKeyOJIADYKSZFXPIE-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.42
Rot. Bonds5

About 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole

4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole (PubChem CID 86800186) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole
PubChem CID86800186
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(CN2CCN(C3CC3)c3ccc(F)cc32)cs1
InChIInChI=1S/C17H20FN3OS/c1-22-10-17-19-13(11-23-17)9-20-6-7-21(14-3-4-14)15-5-2-12(18)8-16(15)20/h2,5,8,11,14H,3-4,6-7,9-10H2,1H3
InChIKeyOJIADYKSZFXPIE-UHFFFAOYSA-N
XLogP3.42
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole with MolForge

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Related Compounds

methyl 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-1H-pyrrole-2-carboxylate
CID 86816779
1-(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-2-methylpropan-2-amine
CID 120856059
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 86819215
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrazol-3-amine
CID 165482461
7-fluoro-6-methoxy-1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]quinolin-4-one
CID 154770255
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94280933
2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-5-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 166267376
[2-(3-fluorophenyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120737603
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole (CID 86800186) is 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole is COCc1nc(CN2CCN(C3CC3)c3ccc(F)cc32)cs1.
What is the InChIKey of 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole?
The InChIKey is OJIADYKSZFXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-22-10-17-19-13(11-23-17)9-20-6-7-21(14-3-4-14)15-5-2-12(18)8-16(15)20/h2,5,8,11,14H,3-4,6-7,9-10H2,1H3.
What are the key properties of 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole?
4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole has a molecular weight of 333.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)methyl]-2-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 86800186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).