CID 131842856

C6H7NNaO2S — CID 131842856

IUPAC—
SMILESCc1csc(CC(=O)O)n1.[Na]
InChIInChI=1S/C6H7NO2S.Na/c1-4-3-10-5(7-4)2-6(8)9;/h3H,2H2,1H3,(H,8,9);
InChIKeyAQJQBHQIJLYFFC-UHFFFAOYSA-N
MW180.18 g/mol
LogP0.70
Rot. Bonds2

About CID 131842856

CID 131842856 (PubChem CID 131842856) has the molecular formula C6H7NNaO2S and a molecular weight of 180.18 g/mol.

Molecular Properties

Compound NameCID 131842856
PubChem CID131842856
Molecular FormulaC6H7NNaO2S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name—
SMILESCc1csc(CC(=O)O)n1.[Na]
InChIInChI=1S/C6H7NO2S.Na/c1-4-3-10-5(7-4)2-6(8)9;/h3H,2H2,1H3,(H,8,9);
InChIKeyAQJQBHQIJLYFFC-UHFFFAOYSA-N
XLogP0.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 116558009
5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 116555711
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 103447216
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid
CID 67128442

Frequently Asked Questions

What is the IUPAC name of CID 131842856?
The IUPAC name of CID 131842856 (CID 131842856) is not available.
What is the SMILES notation for CID 131842856?
The canonical SMILES for CID 131842856 is Cc1csc(CC(=O)O)n1.[Na].
What is the InChIKey of CID 131842856?
The InChIKey is AQJQBHQIJLYFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.Na/c1-4-3-10-5(7-4)2-6(8)9;/h3H,2H2,1H3,(H,8,9);.
What are the key properties of CID 131842856?
CID 131842856 has a molecular weight of 180.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131842856 is sourced from PubChem (CID 131842856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).