2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid

C15H9N3O2S2 — CID 144751376

IUPAC2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccsc1-c1cnc(-c2ncc(C(=O)O)s2)cc1C#N
InChIInChI=1S/C15H9N3O2S2/c1-8-2-3-21-13(8)10-6-17-11(4-9(10)5-16)14-18-7-12(22-14)15(19)20/h2-4,6-7H,1H3,(H,19,20)
InChIKeyFJNNBTHDTWMHRI-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.81
Rot. Bonds3

About 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid

2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 144751376) has the molecular formula C15H9N3O2S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
PubChem CID144751376
Molecular FormulaC15H9N3O2S2
Molecular Weight327.39 g/mol
Exact Mass327.01
IUPAC Name2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccsc1-c1cnc(-c2ncc(C(=O)O)s2)cc1C#N
InChIInChI=1S/C15H9N3O2S2/c1-8-2-3-21-13(8)10-6-17-11(4-9(10)5-16)14-18-7-12(22-14)15(19)20/h2-4,6-7H,1H3,(H,19,20)
InChIKeyFJNNBTHDTWMHRI-UHFFFAOYSA-N
XLogP3.81
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid (CID 144751376) is 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid is Cc1ccsc1-c1cnc(-c2ncc(C(=O)O)s2)cc1C#N.
What is the InChIKey of 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FJNNBTHDTWMHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S2/c1-8-2-3-21-13(8)10-6-17-11(4-9(10)5-16)14-18-7-12(22-14)15(19)20/h2-4,6-7H,1H3,(H,19,20).
What are the key properties of 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 327.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 144751376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).