(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone

C15H21N3O2S — CID 119874237

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C15H21N3O2S/c16-13-10-2-1-9(7-10)12(13)15(19)18-4-5-20-11(8-18)14-17-3-6-21-14/h3,6,9-13H,1-2,4-5,7-8,16H2
InChIKeyNSMORQYCNWWADB-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.42
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 119874237) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
PubChem CID119874237
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C15H21N3O2S/c16-13-10-2-1-9(7-10)12(13)15(19)18-4-5-20-11(8-18)14-17-3-6-21-14/h3,6,9-13H,1-2,4-5,7-8,16H2
InChIKeyNSMORQYCNWWADB-UHFFFAOYSA-N
XLogP1.42
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124699789
[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757300
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-phenylmorpholin-4-yl)methanone
CID 119703767
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119793015
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624197
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 167965443
6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 136563727

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone (CID 119874237) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone is NC1C2CCC(C2)C1C(=O)N1CCOC(c2nccs2)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is NSMORQYCNWWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-13-10-2-1-9(7-10)12(13)15(19)18-4-5-20-11(8-18)14-17-3-6-21-14/h3,6,9-13H,1-2,4-5,7-8,16H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 307.42 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 119874237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).