(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C19H28N6O2S — CID 97401299

IUPAC(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)CCNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3nccs3)CC2)O1
InChIInChI=1S/C19H28N6O2S/c1-23(2)10-5-21-17(26)15-13-25-11-6-22-18(25)19(27-15)3-8-24(9-4-19)14-16-20-7-12-28-16/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,21,26)/t15-/m1/s1
InChIKeyQROHDSHFUCRNLO-OAHLLOKOSA-N
MW404.54 g/mol
LogP0.91
Rot. Bonds6

About (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97401299) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97401299
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)CCNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3nccs3)CC2)O1
InChIInChI=1S/C19H28N6O2S/c1-23(2)10-5-21-17(26)15-13-25-11-6-22-18(25)19(27-15)3-8-24(9-4-19)14-16-20-7-12-28-16/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,21,26)/t15-/m1/s1
InChIKeyQROHDSHFUCRNLO-OAHLLOKOSA-N
XLogP0.91
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(dimethylamino)ethyl]-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131652146
N-[2-(dimethylamino)ethyl]-1'-[(3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131638824
(6S)-N,N-diethyl-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360891
(6R)-N-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360794
1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131658245
1-N',1-N'-dimethyl-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 133136205
(6R)-N,N-diethyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360886
1'-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077189
1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812
(6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360658
1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077208
1'-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077220

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97401299) is (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CN(C)CCNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3nccs3)CC2)O1.
What is the InChIKey of (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is QROHDSHFUCRNLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-23(2)10-5-21-17(26)15-13-25-11-6-22-18(25)19(27-15)3-8-24(9-4-19)14-16-20-7-12-28-16/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,21,26)/t15-/m1/s1.
What are the key properties of (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97401299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).