3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide

C16H18ClN5OS — CID 133494111

IUPAC3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H18ClN5OS/c1-10(14(23)18-2)8-21(3)16-20-22-9-13(19-15(22)24-16)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,18,23)
InChIKeyYSBFCBXXPBCBQB-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.93
Rot. Bonds5

About 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide

3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 133494111) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
PubChem CID133494111
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC Name3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H18ClN5OS/c1-10(14(23)18-2)8-21(3)16-20-22-9-13(19-15(22)24-16)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,18,23)
InChIKeyYSBFCBXXPBCBQB-UHFFFAOYSA-N
XLogP2.93
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide (CID 133494111) is 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is YSBFCBXXPBCBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5OS/c1-10(14(23)18-2)8-21(3)16-20-22-9-13(19-15(22)24-16)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,18,23).
What are the key properties of 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 363.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 133494111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).