N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide

C24H27N3O3S — CID 121397502

IUPACN-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C24H27N3O3S/c1-15-4-5-18(14-25-15)17(3)27-23(28)19-10-20(24-26-13-16(2)31-24)12-22(11-19)30-21-6-8-29-9-7-21/h4-5,10-14,17,21H,6-9H2,1-3H3,(H,27,28)/t17-/m1/s1
InChIKeyVKTBTGUHIBZLBJ-QGZVFWFLSA-N
MW437.57 g/mol
LogP4.87
Rot. Bonds6

About N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide

N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide (PubChem CID 121397502) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
PubChem CID121397502
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C24H27N3O3S/c1-15-4-5-18(14-25-15)17(3)27-23(28)19-10-20(24-26-13-16(2)31-24)12-22(11-19)30-21-6-8-29-9-7-21/h4-5,10-14,17,21H,6-9H2,1-3H3,(H,27,28)/t17-/m1/s1
InChIKeyVKTBTGUHIBZLBJ-QGZVFWFLSA-N
XLogP4.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The IUPAC name of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide (CID 121397502) is N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide.
What is the SMILES notation for N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The canonical SMILES for N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide is Cc1ccc([C@@H](C)NC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)cn1.
What is the InChIKey of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The InChIKey is VKTBTGUHIBZLBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-15-4-5-18(14-25-15)17(3)27-23(28)19-10-20(24-26-13-16(2)31-24)12-22(11-19)30-21-6-8-29-9-7-21/h4-5,10-14,17,21H,6-9H2,1-3H3,(H,27,28)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide has a molecular weight of 437.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide is sourced from PubChem (CID 121397502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).