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

C23H26N4O3S — CID 134328339

IUPAC3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
SMILESCCc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)NC(C)c3cnc(C)cn3)c2)s1
InChIInChI=1S/C23H26N4O3S/c1-4-20-11-26-23(31-20)17-7-16(8-19(9-17)30-18-5-6-29-13-18)22(28)27-15(3)21-12-24-14(2)10-25-21/h7-12,15,18H,4-6,13H2,1-3H3,(H,27,28)/t15?,18-/m1/s1
InChIKeyGGGFDTSSCKHCGY-KPMSDPLLSA-N
MW438.55 g/mol
LogP4.13
Rot. Bonds7

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

3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide (PubChem CID 134328339) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide.

Molecular Properties

Compound Name3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
PubChem CID134328339
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
SMILESCCc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)NC(C)c3cnc(C)cn3)c2)s1
InChIInChI=1S/C23H26N4O3S/c1-4-20-11-26-23(31-20)17-7-16(8-19(9-17)30-18-5-6-29-13-18)22(28)27-15(3)21-12-24-14(2)10-25-21/h7-12,15,18H,4-6,13H2,1-3H3,(H,27,28)/t15?,18-/m1/s1
InChIKeyGGGFDTSSCKHCGY-KPMSDPLLSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide?
The IUPAC name of 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide (CID 134328339) is 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide.
What is the SMILES notation for 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide?
The canonical SMILES for 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide is CCc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)NC(C)c3cnc(C)cn3)c2)s1.
What is the InChIKey of 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide?
The InChIKey is GGGFDTSSCKHCGY-KPMSDPLLSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-4-20-11-26-23(31-20)17-7-16(8-19(9-17)30-18-5-6-29-13-18)22(28)27-15(3)21-12-24-14(2)10-25-21/h7-12,15,18H,4-6,13H2,1-3H3,(H,27,28)/t15?,18-/m1/s1.
What are the key properties of 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide?
3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide is sourced from PubChem (CID 134328339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).