N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide

C23H26N4O3S — CID 134328277

IUPACN-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(OC[C@H]3CCCO3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C23H26N4O3S/c1-14-10-25-21(12-24-14)16(3)27-22(28)17-7-18(23-26-11-15(2)31-23)9-20(8-17)30-13-19-5-4-6-29-19/h7-12,16,19H,4-6,13H2,1-3H3,(H,27,28)/t16?,19-/m1/s1
InChIKeyMANPQCKCYFRFOG-LRTDYKAYSA-N
MW438.55 g/mol
LogP4.27
Rot. Bonds7

About N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 134328277) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID134328277
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(OC[C@H]3CCCO3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C23H26N4O3S/c1-14-10-25-21(12-24-14)16(3)27-22(28)17-7-18(23-26-11-15(2)31-23)9-20(8-17)30-13-19-5-4-6-29-19/h7-12,16,19H,4-6,13H2,1-3H3,(H,27,28)/t16?,19-/m1/s1
InChIKeyMANPQCKCYFRFOG-LRTDYKAYSA-N
XLogP4.27
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 121397244
N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide
CID 134328164
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121405137
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121397738
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide
CID 121397399
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 58188284
3-[[(2S)-1,4-dioxan-2-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
CID 121397642
N-[1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 146501364
3-(5-cyclobutyl-1,3-thiazol-2-yl)-5-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
CID 121397755
N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 121397391
3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2S)-morpholin-2-yl]methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 121397343
3-(5-methyl-2-pyridinyl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 76719433

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 134328277) is N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide is Cc1cnc(C(C)NC(=O)c2cc(OC[C@H]3CCCO3)cc(-c3ncc(C)s3)c2)cn1.
What is the InChIKey of N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is MANPQCKCYFRFOG-LRTDYKAYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-14-10-25-21(12-24-14)16(3)27-22(28)17-7-18(23-26-11-15(2)31-23)9-20(8-17)30-13-19-5-4-6-29-19/h7-12,16,19H,4-6,13H2,1-3H3,(H,27,28)/t16?,19-/m1/s1.
What are the key properties of N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 134328277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).