N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide

C15H18N4O3S — CID 154784296

IUPACN-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(N2CCOCC2)n1)Nc1cc(CO)ccn1
InChIInChI=1S/C15H18N4O3S/c20-9-11-1-2-16-13(7-11)18-14(21)8-12-10-23-15(17-12)19-3-5-22-6-4-19/h1-2,7,10,20H,3-6,8-9H2,(H,16,18,21)
InChIKeyAHDMJRRGFPVAAS-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.05
Rot. Bonds5

About N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide

N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 154784296) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
PubChem CID154784296
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(N2CCOCC2)n1)Nc1cc(CO)ccn1
InChIInChI=1S/C15H18N4O3S/c20-9-11-1-2-16-13(7-11)18-14(21)8-12-10-23-15(17-12)19-3-5-22-6-4-19/h1-2,7,10,20H,3-6,8-9H2,(H,16,18,21)
InChIKeyAHDMJRRGFPVAAS-UHFFFAOYSA-N
XLogP1.05
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide (CID 154784296) is N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(N2CCOCC2)n1)Nc1cc(CO)ccn1.
What is the InChIKey of N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AHDMJRRGFPVAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-9-11-1-2-16-13(7-11)18-14(21)8-12-10-23-15(17-12)19-3-5-22-6-4-19/h1-2,7,10,20H,3-6,8-9H2,(H,16,18,21).
What are the key properties of N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide?
N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 154784296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).