6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C20H18N4O4S — CID 167811855

IUPAC6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)n1
InChIInChI=1S/C20H18N4O4S/c25-18(15-2-1-3-16(22-15)19(26)27)21-14-6-4-13(5-7-14)17-12-29-20(23-17)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H,21,25)(H,26,27)
InChIKeyFGUTYFQYEIELRK-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.99
Rot. Bonds5

About 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid

6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 167811855) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID167811855
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)n1
InChIInChI=1S/C20H18N4O4S/c25-18(15-2-1-3-16(22-15)19(26)27)21-14-6-4-13(5-7-14)17-12-29-20(23-17)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H,21,25)(H,26,27)
InChIKeyFGUTYFQYEIELRK-UHFFFAOYSA-N
XLogP2.99
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 167811855) is 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)n1.
What is the InChIKey of 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FGUTYFQYEIELRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c25-18(15-2-1-3-16(22-15)19(26)27)21-14-6-4-13(5-7-14)17-12-29-20(23-17)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H,21,25)(H,26,27).
What are the key properties of 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 410.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167811855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).