N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C23H22F3N5O2S — CID 87296129

IUPACN-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ncc(CN2CCCC2)s1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H22F3N5O2S/c24-23(25,26)16-5-3-4-15(12-16)18-6-7-19-20(28-18)31(10-11-33-19)22(32)29-21-27-13-17(34-21)14-30-8-1-2-9-30/h3-7,12-13H,1-2,8-11,14H2,(H,27,29,32)
InChIKeyRJOAMIFYSKOBLL-UHFFFAOYSA-N
MW489.52 g/mol
LogP5.25
Rot. Bonds4

About N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 87296129) has the molecular formula C23H22F3N5O2S and a molecular weight of 489.52 g/mol. Its IUPAC name is N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID87296129
Molecular FormulaC23H22F3N5O2S
Molecular Weight489.52 g/mol
Exact Mass489.14
IUPAC NameN-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ncc(CN2CCCC2)s1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H22F3N5O2S/c24-23(25,26)16-5-3-4-15(12-16)18-6-7-19-20(28-18)31(10-11-33-19)22(32)29-21-27-13-17(34-21)14-30-8-1-2-9-30/h3-7,12-13H,1-2,8-11,14H2,(H,27,29,32)
InChIKeyRJOAMIFYSKOBLL-UHFFFAOYSA-N
XLogP5.25
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide with MolForge

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Related Compounds

3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
CID 49854679
CID 49854679
4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660167
4-[6-[[4-(1-Acetylpiperidin-4-yl)-1,3-thiazol-2-yl]amino]-5-phenoxypyridin-3-yl]sulfanyl-3-(trifluoromethyl)benzonitrile
CID 25099724
N-(thiazol-2-yl)-6-(3-(trifluoromethyl)phenyl)-2H-pyrido[3,2-b][1,4]oxazine-4(3H)-carboxamide
CID 52914962
N-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233106
N-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233107
N-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233108
N-(2-pyrrolidin-1-ylpyridin-4-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233229
N-[2-(azetidin-1-yl)pyridin-4-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233232
N-(5-fluoropyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233675

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 87296129) is N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1ncc(CN2CCCC2)s1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is RJOAMIFYSKOBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2S/c24-23(25,26)16-5-3-4-15(12-16)18-6-7-19-20(28-18)31(10-11-33-19)22(32)29-21-27-13-17(34-21)14-30-8-1-2-9-30/h3-7,12-13H,1-2,8-11,14H2,(H,27,29,32).
What are the key properties of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 87296129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).