3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide

C17H21N3OS — CID 23340463

IUPAC3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1=C(C(=O)Nc2c(C)cc(C)cc2C)SC2=NCC(C)N21
InChIInChI=1S/C17H21N3OS/c1-9-6-10(2)14(11(3)7-9)19-16(21)15-13(5)20-12(4)8-18-17(20)22-15/h6-7,12H,8H2,1-5H3,(H,19,21)
InChIKeyWMXISCOSCZSRTO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.59
Rot. Bonds2

About 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide

3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 23340463) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID23340463
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1=C(C(=O)Nc2c(C)cc(C)cc2C)SC2=NCC(C)N21
InChIInChI=1S/C17H21N3OS/c1-9-6-10(2)14(11(3)7-9)19-16(21)15-13(5)20-12(4)8-18-17(20)22-15/h6-7,12H,8H2,1-5H3,(H,19,21)
InChIKeyWMXISCOSCZSRTO-UHFFFAOYSA-N
XLogP3.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 23340463) is 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide is CC1=C(C(=O)Nc2c(C)cc(C)cc2C)SC2=NCC(C)N21.
What is the InChIKey of 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is WMXISCOSCZSRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-9-6-10(2)14(11(3)7-9)19-16(21)15-13(5)20-12(4)8-18-17(20)22-15/h6-7,12H,8H2,1-5H3,(H,19,21).
What are the key properties of 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 23340463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).