6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C20H16FN3O2S — CID 20861703

IUPAC6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H16FN3O2S/c1-12-18(19(25)22-15-5-3-4-6-17(15)26-2)27-20-23-16(11-24(12)20)13-7-9-14(21)10-8-13/h3-11H,1-2H3,(H,22,25)
InChIKeyPBPMJMCPZXFZJJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.77
Rot. Bonds4

About 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 20861703) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID20861703
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H16FN3O2S/c1-12-18(19(25)22-15-5-3-4-6-17(15)26-2)27-20-23-16(11-24(12)20)13-7-9-14(21)10-8-13/h3-11H,1-2H3,(H,22,25)
InChIKeyPBPMJMCPZXFZJJ-UHFFFAOYSA-N
XLogP4.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 20861703) is 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is PBPMJMCPZXFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-12-18(19(25)22-15-5-3-4-6-17(15)26-2)27-20-23-16(11-24(12)20)13-7-9-14(21)10-8-13/h3-11H,1-2H3,(H,22,25).
What are the key properties of 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 20861703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).