lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid

C9H13LiN2O2S — CID 173095890

IUPAClithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid
SMILESCN1CCCc2nc(C(=O)O)sc2C1.[H-].[Li+]
InChIInChI=1S/C9H12N2O2S.Li.H/c1-11-4-2-3-6-7(5-11)14-8(10-6)9(12)13;;/h2-5H2,1H3,(H,12,13);;/q;+1;-1
InChIKeyFRITYJZBGIFEKN-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.66
Rot. Bonds1

About lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid

lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid (PubChem CID 173095890) has the molecular formula C9H13LiN2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid
PubChem CID173095890
Molecular FormulaC9H13LiN2O2S
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Namelithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid
SMILESCN1CCCc2nc(C(=O)O)sc2C1.[H-].[Li+]
InChIInChI=1S/C9H12N2O2S.Li.H/c1-11-4-2-3-6-7(5-11)14-8(10-6)9(12)13;;/h2-5H2,1H3,(H,12,13);;/q;+1;-1
InChIKeyFRITYJZBGIFEKN-UHFFFAOYSA-N
XLogP-1.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid with MolForge

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Related Compounds

CID 112708599
CID 112708599
2,2-dimethyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-one
CID 83388806
N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 97352650
N-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786120
4-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
CID 167728963
6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxylic acid
CID 53302298
(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 124512009
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrobromide
CID 11483833
lithium 4-thia-1,6,9-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene-5-carboxylate
CID 23688406
tert-butyl N-[(1R,2S)-2-[methyl-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]carbamate
CID 68907891
tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 172654604

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid?
The IUPAC name of lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid (CID 173095890) is lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid.
What is the SMILES notation for lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid?
The canonical SMILES for lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid is CN1CCCc2nc(C(=O)O)sc2C1.[H-].[Li+].
What is the InChIKey of lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid?
The InChIKey is FRITYJZBGIFEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.Li.H/c1-11-4-2-3-6-7(5-11)14-8(10-6)9(12)13;;/h2-5H2,1H3,(H,12,13);;/q;+1;-1.
What are the key properties of lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid?
lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of -1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid is sourced from PubChem (CID 173095890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).