2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide

C19H16N4O3S — CID 136652865

IUPAC2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESN#Cc1cnc(-c2nc(CC(=O)NCC(O)c3ccccc3)cs2)c(O)c1
InChIInChI=1S/C19H16N4O3S/c20-8-12-6-15(24)18(22-9-12)19-23-14(11-27-19)7-17(26)21-10-16(25)13-4-2-1-3-5-13/h1-6,9,11,16,24-25H,7,10H2,(H,21,26)
InChIKeyXVTMWHSFYJJPOK-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide

2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide (PubChem CID 136652865) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide
PubChem CID136652865
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESN#Cc1cnc(-c2nc(CC(=O)NCC(O)c3ccccc3)cs2)c(O)c1
InChIInChI=1S/C19H16N4O3S/c20-8-12-6-15(24)18(22-9-12)19-23-14(11-27-19)7-17(26)21-10-16(25)13-4-2-1-3-5-13/h1-6,9,11,16,24-25H,7,10H2,(H,21,26)
InChIKeyXVTMWHSFYJJPOK-UHFFFAOYSA-N
XLogP2.17
TPSA119.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide (CID 136652865) is 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide is N#Cc1cnc(-c2nc(CC(=O)NCC(O)c3ccccc3)cs2)c(O)c1.
What is the InChIKey of 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide?
The InChIKey is XVTMWHSFYJJPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c20-8-12-6-15(24)18(22-9-12)19-23-14(11-27-19)7-17(26)21-10-16(25)13-4-2-1-3-5-13/h1-6,9,11,16,24-25H,7,10H2,(H,21,26).
What are the key properties of 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide?
2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide is sourced from PubChem (CID 136652865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).