N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide

C23H21N3OS — CID 3520108

IUPACN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C)c1ccccc1
InChIInChI=1S/C23H21N3OS/c1-3-17(16-9-5-4-6-10-16)21(27)25-19-12-7-11-18(15(19)2)22-26-20-13-8-14-24-23(20)28-22/h4-14,17H,3H2,1-2H3,(H,25,27)
InChIKeyXWKBOACLLXQHKN-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.80
Rot. Bonds5

About N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide (PubChem CID 3520108) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide
PubChem CID3520108
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C)c1ccccc1
InChIInChI=1S/C23H21N3OS/c1-3-17(16-9-5-4-6-10-16)21(27)25-19-12-7-11-18(15(19)2)22-26-20-13-8-14-24-23(20)28-22/h4-14,17H,3H2,1-2H3,(H,25,27)
InChIKeyXWKBOACLLXQHKN-UHFFFAOYSA-N
XLogP5.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide (CID 3520108) is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C)c1ccccc1.
What is the InChIKey of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide?
The InChIKey is XWKBOACLLXQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-3-17(16-9-5-4-6-10-16)21(27)25-19-12-7-11-18(15(19)2)22-26-20-13-8-14-24-23(20)28-22/h4-14,17H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide?
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide has a molecular weight of 387.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 3520108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).