10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine

C12H19N3OS — CID 82381757

IUPAC10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine
SMILESCc1ncc(C2CNCCN3CCOCC23)s1
InChIInChI=1S/C12H19N3OS/c1-9-14-7-12(17-9)10-6-13-2-3-15-4-5-16-8-11(10)15/h7,10-11,13H,2-6,8H2,1H3
InChIKeyVMONLWRHSPHAFB-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.84
Rot. Bonds1

About 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine

10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine (PubChem CID 82381757) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine.

Molecular Properties

Compound Name10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine
PubChem CID82381757
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine
SMILESCc1ncc(C2CNCCN3CCOCC23)s1
InChIInChI=1S/C12H19N3OS/c1-9-14-7-12(17-9)10-6-13-2-3-15-4-5-16-8-11(10)15/h7,10-11,13H,2-6,8H2,1H3
InChIKeyVMONLWRHSPHAFB-UHFFFAOYSA-N
XLogP0.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine with MolForge

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Related Compounds

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2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
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(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
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4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 130580485
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile
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10,10-dimethyl-1,3,4,6,7,8,9,10a-octahydro-[1,4]oxazino[4,3-d][1,4]diazepine
CID 164876243

Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine?
The IUPAC name of 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine (CID 82381757) is 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine.
What is the SMILES notation for 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine?
The canonical SMILES for 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine is Cc1ncc(C2CNCCN3CCOCC23)s1.
What is the InChIKey of 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine?
The InChIKey is VMONLWRHSPHAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-14-7-12(17-9)10-6-13-2-3-15-4-5-16-8-11(10)15/h7,10-11,13H,2-6,8H2,1H3.
What are the key properties of 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine?
10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine has a molecular weight of 253.37 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-1,3-thiazol-5-yl)-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepine is sourced from PubChem (CID 82381757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).