N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide

C24H26F2N4O3S — CID 146501364

IUPACN-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide
SMILESCc1cnc(-c2cc(OC[C@H]3CNCCO3)cc(C(=O)NC(C)c3ccc(C(F)F)nc3)c2)s1
InChIInChI=1S/C24H26F2N4O3S/c1-14-10-29-24(34-14)18-7-17(8-19(9-18)33-13-20-12-27-5-6-32-20)23(31)30-15(2)16-3-4-21(22(25)26)28-11-16/h3-4,7-11,15,20,22,27H,5-6,12-13H2,1-2H3,(H,30,31)/t15?,20-/m1/s1
InChIKeyJJNTVSUCGMSRNL-YQYDADCPSA-N
MW488.56 g/mol
LogP4.31
Rot. Bonds8

About N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide

N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide (PubChem CID 146501364) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide
PubChem CID146501364
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC NameN-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide
SMILESCc1cnc(-c2cc(OC[C@H]3CNCCO3)cc(C(=O)NC(C)c3ccc(C(F)F)nc3)c2)s1
InChIInChI=1S/C24H26F2N4O3S/c1-14-10-29-24(34-14)18-7-17(8-19(9-18)33-13-20-12-27-5-6-32-20)23(31)30-15(2)16-3-4-21(22(25)26)28-11-16/h3-4,7-11,15,20,22,27H,5-6,12-13H2,1-2H3,(H,30,31)/t15?,20-/m1/s1
InChIKeyJJNTVSUCGMSRNL-YQYDADCPSA-N
XLogP4.31
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide?
The IUPAC name of N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide (CID 146501364) is N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide?
The canonical SMILES for N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide is Cc1cnc(-c2cc(OC[C@H]3CNCCO3)cc(C(=O)NC(C)c3ccc(C(F)F)nc3)c2)s1.
What is the InChIKey of N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide?
The InChIKey is JJNTVSUCGMSRNL-YQYDADCPSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-14-10-29-24(34-14)18-7-17(8-19(9-18)33-13-20-12-27-5-6-32-20)23(31)30-15(2)16-3-4-21(22(25)26)28-11-16/h3-4,7-11,15,20,22,27H,5-6,12-13H2,1-2H3,(H,30,31)/t15?,20-/m1/s1.
What are the key properties of N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide?
N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide has a molecular weight of 488.56 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide is sourced from PubChem (CID 146501364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).