3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide

C16H17N3O3S — CID 3238659

IUPAC3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn3c(C)csc3n2)cc1OC
InChIInChI=1S/C16H17N3O3S/c1-10-9-23-16-18-12(8-19(10)16)7-17-15(20)11-4-5-13(21-2)14(6-11)22-3/h4-6,8-9H,7H2,1-3H3,(H,17,20)
InChIKeyZWYLREGLTOFYTH-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.65
Rot. Bonds5

About 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide

3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide (PubChem CID 3238659) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
PubChem CID3238659
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn3c(C)csc3n2)cc1OC
InChIInChI=1S/C16H17N3O3S/c1-10-9-23-16-18-12(8-19(10)16)7-17-15(20)11-4-5-13(21-2)14(6-11)22-3/h4-6,8-9H,7H2,1-3H3,(H,17,20)
InChIKeyZWYLREGLTOFYTH-UHFFFAOYSA-N
XLogP2.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide (CID 3238659) is 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide is COc1ccc(C(=O)NCc2cn3c(C)csc3n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
The InChIKey is ZWYLREGLTOFYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-9-23-16-18-12(8-19(10)16)7-17-15(20)11-4-5-13(21-2)14(6-11)22-3/h4-6,8-9H,7H2,1-3H3,(H,17,20).
What are the key properties of 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide has a molecular weight of 331.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide is sourced from PubChem (CID 3238659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).