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

C16H10N4O3S — CID 144751396

IUPAC2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccncc1-c1cnc(-c2ncc(C(=O)O)s2)cc1C#N
InChIInChI=1S/C16H10N4O3S/c1-23-13-2-3-18-6-11(13)10-7-19-12(4-9(10)5-17)15-20-8-14(24-15)16(21)22/h2-4,6-8H,1H3,(H,21,22)
InChIKeyLVNUNXFVKUILHP-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.85
Rot. Bonds4

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

2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 144751396) has the molecular formula C16H10N4O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
PubChem CID144751396
Molecular FormulaC16H10N4O3S
Molecular Weight338.35 g/mol
Exact Mass338.05
IUPAC Name2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccncc1-c1cnc(-c2ncc(C(=O)O)s2)cc1C#N
InChIInChI=1S/C16H10N4O3S/c1-23-13-2-3-18-6-11(13)10-7-19-12(4-9(10)5-17)15-20-8-14(24-15)16(21)22/h2-4,6-8H,1H3,(H,21,22)
InChIKeyLVNUNXFVKUILHP-UHFFFAOYSA-N
XLogP2.85
TPSA108.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-[4-cyano-5-(3-methylthiophen-2-yl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
CID 144751376
2-(4-cyanonaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 45257153
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
methyl 2-[(E)-2-(4-cyano-3-methoxyphenyl)ethenyl]-1,3-thiazole-5-carboxylate
CID 119051361
2-tert-butyl-4-(3-cyano-4-pyridinyl)benzoic acid
CID 172774390
benzyl 4-(2-cyano-6-methoxyphenyl)pyridine-3-carboxylate
CID 168984636
4-chloro-5-[4-cyano-6-(trifluoromethyl)-3-pyridinyl]-2-methoxybenzoic acid
CID 68602194
2-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 130598614
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
CID 155342269
methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
CID 103372984
5-(5-cyano-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 106950943

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid (CID 144751396) is 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid is COc1ccncc1-c1cnc(-c2ncc(C(=O)O)s2)cc1C#N.
What is the InChIKey of 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LVNUNXFVKUILHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3S/c1-23-13-2-3-18-6-11(13)10-7-19-12(4-9(10)5-17)15-20-8-14(24-15)16(21)22/h2-4,6-8H,1H3,(H,21,22).
What are the key properties of 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 338.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-5-(4-methoxy-3-pyridinyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 144751396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).