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

C17H18FN3OS — CID 5310245

IUPAC6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3OS/c1-10(2)8-19-16(22)15-11(3)21-9-14(20-17(21)23-15)12-4-6-13(18)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyCYTXIXUJSGUOLD-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.90
Rot. Bonds4

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

6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 5310245) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID5310245
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3OS/c1-10(2)8-19-16(22)15-11(3)21-9-14(20-17(21)23-15)12-4-6-13(18)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyCYTXIXUJSGUOLD-UHFFFAOYSA-N
XLogP3.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 5310245) is 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is CYTXIXUJSGUOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-10(2)8-19-16(22)15-11(3)21-9-14(20-17(21)23-15)12-4-6-13(18)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,22).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 5310245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).