N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C18H11ClFN3OS — CID 134796429

IUPACN-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C18H11ClFN3OS/c19-12-2-1-3-14(10-12)21-17(24)15-16(11-4-6-13(20)7-5-11)23-8-9-25-18(23)22-15/h1-10H,(H,21,24)
InChIKeyHGUQRRXISKLPLW-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.11
Rot. Bonds3

About N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796429) has the molecular formula C18H11ClFN3OS and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796429
Molecular FormulaC18H11ClFN3OS
Molecular Weight371.82 g/mol
Exact Mass371.03
IUPAC NameN-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C18H11ClFN3OS/c19-12-2-1-3-14(10-12)21-17(24)15-16(11-4-6-13(20)7-5-11)23-8-9-25-18(23)22-15/h1-10H,(H,21,24)
InChIKeyHGUQRRXISKLPLW-UHFFFAOYSA-N
XLogP5.11
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796429) is N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(Nc1cccc(Cl)c1)c1nc2sccn2c1-c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is HGUQRRXISKLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS/c19-12-2-1-3-14(10-12)21-17(24)15-16(11-4-6-13(20)7-5-11)23-8-9-25-18(23)22-15/h1-10H,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).