N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide

C25H21N5O3S — CID 25144589

IUPACN-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1)c1nc2ccccc2o1
InChIInChI=1S/C25H21N5O3S/c31-22(23-28-19-7-3-4-8-21(19)33-23)27-18-6-2-1-5-17(18)24-29-20-13-16(14-26-25(20)34-24)15-30-9-11-32-12-10-30/h1-8,13-14H,9-12,15H2,(H,27,31)
InChIKeyPEWRBXNGVQDSLX-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.58
Rot. Bonds5

About N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide

N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide (PubChem CID 25144589) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide
PubChem CID25144589
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC NameN-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1)c1nc2ccccc2o1
InChIInChI=1S/C25H21N5O3S/c31-22(23-28-19-7-3-4-8-21(19)33-23)27-18-6-2-1-5-17(18)24-29-20-13-16(14-26-25(20)34-24)15-30-9-11-32-12-10-30/h1-8,13-14H,9-12,15H2,(H,27,31)
InChIKeyPEWRBXNGVQDSLX-UHFFFAOYSA-N
XLogP4.58
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide (CID 25144589) is N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide is O=C(Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1)c1nc2ccccc2o1.
What is the InChIKey of N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide?
The InChIKey is PEWRBXNGVQDSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c31-22(23-28-19-7-3-4-8-21(19)33-23)27-18-6-2-1-5-17(18)24-29-20-13-16(14-26-25(20)34-24)15-30-9-11-32-12-10-30/h1-8,13-14H,9-12,15H2,(H,27,31).
What are the key properties of N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide?
N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 25144589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).