6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C17H19N3O2S — CID 3241505

IUPAC6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NC(C)C)sc3n2)cc1
InChIInChI=1S/C17H19N3O2S/c1-10(2)18-16(21)15-11(3)20-9-14(19-17(20)23-15)12-5-7-13(22-4)8-6-12/h5-10H,1-4H3,(H,18,21)
InChIKeySKLRQEFLTPRXIV-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.52
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3241505) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3241505
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NC(C)C)sc3n2)cc1
InChIInChI=1S/C17H19N3O2S/c1-10(2)18-16(21)15-11(3)20-9-14(19-17(20)23-15)12-5-7-13(22-4)8-6-12/h5-10H,1-4H3,(H,18,21)
InChIKeySKLRQEFLTPRXIV-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3241505) is 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(-c2cn3c(C)c(C(=O)NC(C)C)sc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is SKLRQEFLTPRXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10(2)18-16(21)15-11(3)20-9-14(19-17(20)23-15)12-5-7-13(22-4)8-6-12/h5-10H,1-4H3,(H,18,21).
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3241505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).