(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

C19H27N5O2S — CID 97360891

IUPAC(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
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3nccs3)CC2)O1
InChIInChI=1S/C19H27N5O2S/c1-3-23(4-2)17(25)15-13-24-11-7-21-18(24)19(26-15)5-9-22(10-6-19)14-16-20-8-12-27-16/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3/t15-/m0/s1
InChIKeyJWZBEMKUBWGVGS-HNNXBMFYSA-N
MW389.53 g/mol
LogP2.10
Rot. Bonds5

About (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

(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 (PubChem CID 97360891) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97360891
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name(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
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3nccs3)CC2)O1
InChIInChI=1S/C19H27N5O2S/c1-3-23(4-2)17(25)15-13-24-11-7-21-18(24)19(26-15)5-9-22(10-6-19)14-16-20-8-12-27-16/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3/t15-/m0/s1
InChIKeyJWZBEMKUBWGVGS-HNNXBMFYSA-N
XLogP2.10
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360923
(6S)-N,N-diethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440436
(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
N,N-diethyl-1'-(5-fluoropyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131656579
N,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155865459
(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360915
(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440425
(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360919
(6R)-N,N-diethyl-1'-(3-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440417
N,N-diethyl-1'-(1-methylimidazol-4-yl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155856754
N-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649844

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3nccs3)CC2)O1.
What is the InChIKey of (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?
The InChIKey is JWZBEMKUBWGVGS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-3-23(4-2)17(25)15-13-24-11-7-21-18(24)19(26-15)5-9-22(10-6-19)14-16-20-8-12-27-16/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 389.53 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97360891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).