CID 158604119

C8H8N2NaOS — CID 158604119

IUPAC—
SMILESCOc1ccc2nc(N)sc2c1.[Na]
InChIInChI=1S/C8H8N2OS.Na/c1-11-5-2-3-6-7(4-5)12-8(9)10-6;/h2-4H,1H3,(H2,9,10);
InChIKeyHVZSBSKNCIPCAI-UHFFFAOYSA-N
MW203.22 g/mol
LogP1.51
Rot. Bonds1

About CID 158604119

CID 158604119 (PubChem CID 158604119) has the molecular formula C8H8N2NaOS and a molecular weight of 203.22 g/mol.

Molecular Properties

Compound NameCID 158604119
PubChem CID158604119
Molecular FormulaC8H8N2NaOS
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Name—
SMILESCOc1ccc2nc(N)sc2c1.[Na]
InChIInChI=1S/C8H8N2OS.Na/c1-11-5-2-3-6-7(4-5)12-8(9)10-6;/h2-4H,1H3,(H2,9,10);
InChIKeyHVZSBSKNCIPCAI-UHFFFAOYSA-N
XLogP1.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
CID 159412821
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine
CID 130443924
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CID 139337544
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716

Frequently Asked Questions

What is the IUPAC name of CID 158604119?
The IUPAC name of CID 158604119 (CID 158604119) is not available.
What is the SMILES notation for CID 158604119?
The canonical SMILES for CID 158604119 is COc1ccc2nc(N)sc2c1.[Na].
What is the InChIKey of CID 158604119?
The InChIKey is HVZSBSKNCIPCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS.Na/c1-11-5-2-3-6-7(4-5)12-8(9)10-6;/h2-4H,1H3,(H2,9,10);.
What are the key properties of CID 158604119?
CID 158604119 has a molecular weight of 203.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158604119 is sourced from PubChem (CID 158604119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).