N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C28H28N4O3S — CID 68747277

IUPACN-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncc(CN3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C28H28N4O3S/c1-20-5-6-22(28-30-17-25(36-28)18-32-12-14-34-15-13-32)16-26(20)31-27(33)21-7-9-24(10-8-21)35-19-23-4-2-3-11-29-23/h2-11,16-17H,12-15,18-19H2,1H3,(H,31,33)
InChIKeyFPCRNQDPAAFAKL-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.18
Rot. Bonds8

About N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 68747277) has the molecular formula C28H28N4O3S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID68747277
Molecular FormulaC28H28N4O3S
Molecular Weight500.62 g/mol
Exact Mass500.19
IUPAC NameN-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncc(CN3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C28H28N4O3S/c1-20-5-6-22(28-30-17-25(36-28)18-32-12-14-34-15-13-32)16-26(20)31-27(33)21-7-9-24(10-8-21)35-19-23-4-2-3-11-29-23/h2-11,16-17H,12-15,18-19H2,1H3,(H,31,33)
InChIKeyFPCRNQDPAAFAKL-UHFFFAOYSA-N
XLogP5.18
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 68747277) is N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2ncc(CN3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is FPCRNQDPAAFAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3S/c1-20-5-6-22(28-30-17-25(36-28)18-32-12-14-34-15-13-32)16-26(20)31-27(33)21-7-9-24(10-8-21)35-19-23-4-2-3-11-29-23/h2-11,16-17H,12-15,18-19H2,1H3,(H,31,33).
What are the key properties of N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 500.62 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 68747277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).