ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid

C11H18N4O2S — CID 142316942

IUPACethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
SMILESCC.CN.Cc1cc(C(=O)O)nn1-c1nccs1
InChIInChI=1S/C8H7N3O2S.C2H6.CH5N/c1-5-4-6(7(12)13)10-11(5)8-9-2-3-14-8;2*1-2/h2-4H,1H3,(H,12,13);1-2H3;2H2,1H3
InChIKeyZSOVBKPRPOJFDX-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.94
Rot. Bonds2

About ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid

ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid (PubChem CID 142316942) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Nameethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
PubChem CID142316942
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nameethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
SMILESCC.CN.Cc1cc(C(=O)O)nn1-c1nccs1
InChIInChI=1S/C8H7N3O2S.C2H6.CH5N/c1-5-4-6(7(12)13)10-11(5)8-9-2-3-14-8;2*1-2/h2-4H,1H3,(H,12,13);1-2H3;2H2,1H3
InChIKeyZSOVBKPRPOJFDX-UHFFFAOYSA-N
XLogP1.94
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid (CID 142316942) is ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid is CC.CN.Cc1cc(C(=O)O)nn1-c1nccs1.
What is the InChIKey of ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is ZSOVBKPRPOJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S.C2H6.CH5N/c1-5-4-6(7(12)13)10-11(5)8-9-2-3-14-8;2*1-2/h2-4H,1H3,(H,12,13);1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid?
ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 270.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 142316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).