2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide

C18H20N4O3S — CID 91769435

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C18H20N4O3S/c23-17(9-14-10-22-6-8-26-18(22)20-14)21-15-4-7-24-12-16(15)25-11-13-3-1-2-5-19-13/h1-3,5-6,8,10,15-16H,4,7,9,11-12H2,(H,21,23)/t15-,16-/m1/s1
InChIKeyUCJGGFLHYWMASZ-HZPDHXFCSA-N
MW372.45 g/mol
LogP1.82
Rot. Bonds6

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide (PubChem CID 91769435) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
PubChem CID91769435
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C18H20N4O3S/c23-17(9-14-10-22-6-8-26-18(22)20-14)21-15-4-7-24-12-16(15)25-11-13-3-1-2-5-19-13/h1-3,5-6,8,10,15-16H,4,7,9,11-12H2,(H,21,23)/t15-,16-/m1/s1
InChIKeyUCJGGFLHYWMASZ-HZPDHXFCSA-N
XLogP1.82
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide (CID 91769435) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide is O=C(Cc1cn2ccsc2n1)N[C@@H]1CCOC[C@H]1OCc1ccccn1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
The InChIKey is UCJGGFLHYWMASZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-17(9-14-10-22-6-8-26-18(22)20-14)21-15-4-7-24-12-16(15)25-11-13-3-1-2-5-19-13/h1-3,5-6,8,10,15-16H,4,7,9,11-12H2,(H,21,23)/t15-,16-/m1/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 91769435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).