6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C18H18ClN3O2S — CID 95199757

IUPAC6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCC[C@@H]1CCOC1)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H18ClN3O2S/c19-14-3-1-13(2-4-14)15-9-22-16(11-25-18(22)21-15)17(23)20-7-5-12-6-8-24-10-12/h1-4,9,11-12H,5-8,10H2,(H,20,23)/t12-/m1/s1
InChIKeyNYGZGLGRMLDOPA-GFCCVEGCSA-N
MW375.88 g/mol
LogP3.87
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 95199757) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID95199757
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCC[C@@H]1CCOC1)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C18H18ClN3O2S/c19-14-3-1-13(2-4-14)15-9-22-16(11-25-18(22)21-15)17(23)20-7-5-12-6-8-24-10-12/h1-4,9,11-12H,5-8,10H2,(H,20,23)/t12-/m1/s1
InChIKeyNYGZGLGRMLDOPA-GFCCVEGCSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

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Related Compounds

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CID 45172039
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 95199757) is 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCC[C@@H]1CCOC1)c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is NYGZGLGRMLDOPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-14-3-1-13(2-4-14)15-9-22-16(11-25-18(22)21-15)17(23)20-7-5-12-6-8-24-10-12/h1-4,9,11-12H,5-8,10H2,(H,20,23)/t12-/m1/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 95199757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).