3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide

C18H17N5O2S — CID 58285578

IUPAC3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C18H17N5O2S/c1-22(2)16(24)13-6-3-5-12(9-13)15-11-20-18-23(15)21-17(26-18)19-10-14-7-4-8-25-14/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyABTFHEPMDGOHBM-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.36
Rot. Bonds5

About 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide

3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide (PubChem CID 58285578) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide
PubChem CID58285578
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C18H17N5O2S/c1-22(2)16(24)13-6-3-5-12(9-13)15-11-20-18-23(15)21-17(26-18)19-10-14-7-4-8-25-14/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyABTFHEPMDGOHBM-UHFFFAOYSA-N
XLogP3.36
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide (CID 58285578) is 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1.
What is the InChIKey of 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide?
The InChIKey is ABTFHEPMDGOHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-22(2)16(24)13-6-3-5-12(9-13)15-11-20-18-23(15)21-17(26-18)19-10-14-7-4-8-25-14/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide?
3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58285578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).