N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide

C15H15N3O3S — CID 5310446

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cn3ccsc3n2)cc1OC
InChIInChI=1S/C15H15N3O3S/c1-20-12-4-3-10(7-13(12)21-2)14(19)16-8-11-9-18-5-6-22-15(18)17-11/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyTVNDOTYOMPPYPL-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.34
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide (PubChem CID 5310446) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide
PubChem CID5310446
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cn3ccsc3n2)cc1OC
InChIInChI=1S/C15H15N3O3S/c1-20-12-4-3-10(7-13(12)21-2)14(19)16-8-11-9-18-5-6-22-15(18)17-11/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyTVNDOTYOMPPYPL-UHFFFAOYSA-N
XLogP2.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Srt-1460
CID 24180124
2-[(E)-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11485823
(E)-3-[6-(4-methoxyphenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 51353293
(E)-3-[6-(4-fluorophenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 51353352
(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353472
(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053321
3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 3238659
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
CID 5158448
N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 5733057
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,4-dimethoxybenzamide
CID 7151241
2,3-dimethoxy-N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzamide
CID 7151271
Dimethyl 4-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823576

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide (CID 5310446) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2cn3ccsc3n2)cc1OC.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is TVNDOTYOMPPYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-12-4-3-10(7-13(12)21-2)14(19)16-8-11-9-18-5-6-22-15(18)17-11/h3-7,9H,8H2,1-2H3,(H,16,19).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 317.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 5310446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).