6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

C14H12N4O2S2 — CID 134147900

IUPAC6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)cn3)n2)s1
InChIInChI=1S/C14H12N4O2S2/c1-7-12(22-8(2)16-7)10-6-21-14(17-10)18-11-4-3-9(5-15-11)13(19)20/h3-6H,1-2H3,(H,19,20)(H,15,17,18)
InChIKeyLASNORUOBAPSMP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.72
Rot. Bonds4

About 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 134147900) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID134147900
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)cn3)n2)s1
InChIInChI=1S/C14H12N4O2S2/c1-7-12(22-8(2)16-7)10-6-21-14(17-10)18-11-4-3-9(5-15-11)13(19)20/h3-6H,1-2H3,(H,19,20)(H,15,17,18)
InChIKeyLASNORUOBAPSMP-UHFFFAOYSA-N
XLogP3.72
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (CID 134147900) is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)cn3)n2)s1.
What is the InChIKey of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is LASNORUOBAPSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-7-12(22-8(2)16-7)10-6-21-14(17-10)18-11-4-3-9(5-15-11)13(19)20/h3-6H,1-2H3,(H,19,20)(H,15,17,18).
What are the key properties of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 332.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 134147900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).