2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide

C17H21N3OS — CID 44826904

IUPAC2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C17H21N3OS/c1-17(2,3)15(21)18-11-13-14(12-7-5-4-6-8-12)19-16-20(13)9-10-22-16/h4-8H,9-11H2,1-3H3,(H,18,21)
InChIKeyWWFDFTSBRSBIQH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.32
Rot. Bonds3

About 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide

2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide (PubChem CID 44826904) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide
PubChem CID44826904
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C17H21N3OS/c1-17(2,3)15(21)18-11-13-14(12-7-5-4-6-8-12)19-16-20(13)9-10-22-16/h4-8H,9-11H2,1-3H3,(H,18,21)
InChIKeyWWFDFTSBRSBIQH-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide (CID 44826904) is 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide is CC(C)(C)C(=O)NCc1c(-c2ccccc2)nc2n1CCS2.
What is the InChIKey of 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide?
The InChIKey is WWFDFTSBRSBIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-17(2,3)15(21)18-11-13-14(12-7-5-4-6-8-12)19-16-20(13)9-10-22-16/h4-8H,9-11H2,1-3H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide?
2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 44826904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).