6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C17H21N3O4S — CID 50749886

IUPAC6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)NCC(C)C)CCS3(=O)=O)c1
InChIInChI=1S/C17H21N3O4S/c1-11(2)10-18-16(21)15-14(12-5-4-6-13(9-12)24-3)19-17-20(15)7-8-25(17,22)23/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,21)
InChIKeyPUWCFMQLYLJYQT-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.73
Rot. Bonds5

About 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749886) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749886
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)NCC(C)C)CCS3(=O)=O)c1
InChIInChI=1S/C17H21N3O4S/c1-11(2)10-18-16(21)15-14(12-5-4-6-13(9-12)24-3)19-17-20(15)7-8-25(17,22)23/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,21)
InChIKeyPUWCFMQLYLJYQT-UHFFFAOYSA-N
XLogP1.73
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749886) is 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(-c2nc3n(c2C(=O)NCC(C)C)CCS3(=O)=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is PUWCFMQLYLJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11(2)10-18-16(21)15-14(12-5-4-6-13(9-12)24-3)19-17-20(15)7-8-25(17,22)23/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,21).
What are the key properties of 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-(2-methylpropyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).