CID 112708599

C8H10N2NaO2S — CID 112708599

IUPAC—
SMILESCN1CCc2nc(C(=O)O)sc2C1.[Na]
InChIInChI=1S/C8H10N2O2S.Na/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);
InChIKeyQMMAZVVALOZTSL-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.45
Rot. Bonds1

About CID 112708599

CID 112708599 (PubChem CID 112708599) has the molecular formula C8H10N2NaO2S and a molecular weight of 221.24 g/mol.

Molecular Properties

Compound NameCID 112708599
PubChem CID112708599
Molecular FormulaC8H10N2NaO2S
Molecular Weight221.24 g/mol
Exact Mass221.04
IUPAC Name—
SMILESCN1CCc2nc(C(=O)O)sc2C1.[Na]
InChIInChI=1S/C8H10N2O2S.Na/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);
InChIKeyQMMAZVVALOZTSL-UHFFFAOYSA-N
XLogP0.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

lithium;hydride;5-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine-2-carboxylic acid
CID 173095890
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-[(E)-2-aminoprop-1-enyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66786120
2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrobromide
CID 11483833
N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 97352650
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
CID 157311752
ethyl 4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 163583920
N,5-dimethyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 166338584
1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 47433636
6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxylic acid
CID 53302298

Frequently Asked Questions

What is the IUPAC name of CID 112708599?
The IUPAC name of CID 112708599 (CID 112708599) is not available.
What is the SMILES notation for CID 112708599?
The canonical SMILES for CID 112708599 is CN1CCc2nc(C(=O)O)sc2C1.[Na].
What is the InChIKey of CID 112708599?
The InChIKey is QMMAZVVALOZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S.Na/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);.
What are the key properties of CID 112708599?
CID 112708599 has a molecular weight of 221.24 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 112708599 is sourced from PubChem (CID 112708599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).