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

C17H20N4OS — CID 53163103

IUPACN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide
SMILESCCc1nn2c(CNC(=O)CCc3ccccc3)c(C)nc2s1
InChIInChI=1S/C17H20N4OS/c1-3-16-20-21-14(12(2)19-17(21)23-16)11-18-15(22)10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,22)
InChIKeyCPHDTSDCAKEJSI-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.91
Rot. Bonds6

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

N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide (PubChem CID 53163103) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide
PubChem CID53163103
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide
SMILESCCc1nn2c(CNC(=O)CCc3ccccc3)c(C)nc2s1
InChIInChI=1S/C17H20N4OS/c1-3-16-20-21-14(12(2)19-17(21)23-16)11-18-15(22)10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,22)
InChIKeyCPHDTSDCAKEJSI-UHFFFAOYSA-N
XLogP2.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide (CID 53163103) is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide is CCc1nn2c(CNC(=O)CCc3ccccc3)c(C)nc2s1.
What is the InChIKey of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
The InChIKey is CPHDTSDCAKEJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-3-16-20-21-14(12(2)19-17(21)23-16)11-18-15(22)10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,22).
What are the key properties of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide?
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide has a molecular weight of 328.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 53163103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).