N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide

C16H18N4OS — CID 53163061

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide
SMILESCc1nn2c(CNC(=O)CCc3ccccc3)c(C)nc2s1
InChIInChI=1S/C16H18N4OS/c1-11-14(20-16(18-11)22-12(2)19-20)10-17-15(21)9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,21)
InChIKeyQMLTZDSWYZRWKR-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.66
Rot. Bonds5

About N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide (PubChem CID 53163061) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide
PubChem CID53163061
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide
SMILESCc1nn2c(CNC(=O)CCc3ccccc3)c(C)nc2s1
InChIInChI=1S/C16H18N4OS/c1-11-14(20-16(18-11)22-12(2)19-20)10-17-15(21)9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,21)
InChIKeyQMLTZDSWYZRWKR-UHFFFAOYSA-N
XLogP2.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide (CID 53163061) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide is Cc1nn2c(CNC(=O)CCc3ccccc3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
The InChIKey is QMLTZDSWYZRWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-14(20-16(18-11)22-12(2)19-20)10-17-15(21)9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,21).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 53163061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).