4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide

C17H11Cl2FN4OS — CID 55668837

IUPAC4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cc(Cl)c1Cl
InChIInChI=1S/C17H11Cl2FN4OS/c1-23-12(8-11(18)14(23)19)16(25)22-15-13(9-2-4-10(20)5-3-9)21-17-24(15)6-7-26-17/h2-8H,1H3,(H,22,25)
InChIKeyWSNJCGWWQMHLHO-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.10
Rot. Bonds3

About 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 55668837) has the molecular formula C17H11Cl2FN4OS and a molecular weight of 409.27 g/mol. Its IUPAC name is 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide
PubChem CID55668837
Molecular FormulaC17H11Cl2FN4OS
Molecular Weight409.27 g/mol
Exact Mass408.00
IUPAC Name4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cc(Cl)c1Cl
InChIInChI=1S/C17H11Cl2FN4OS/c1-23-12(8-11(18)14(23)19)16(25)22-15-13(9-2-4-10(20)5-3-9)21-17-24(15)6-7-26-17/h2-8H,1H3,(H,22,25)
InChIKeyWSNJCGWWQMHLHO-UHFFFAOYSA-N
XLogP5.10
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide (CID 55668837) is 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is WSNJCGWWQMHLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4OS/c1-23-12(8-11(18)14(23)19)16(25)22-15-13(9-2-4-10(20)5-3-9)21-17-24(15)6-7-26-17/h2-8H,1H3,(H,22,25).
What are the key properties of 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 409.27 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55668837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).