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

C15H15FN4OS — CID 53163299

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide
SMILESCc1nn2c(CNC(=O)c3ccc(C)c(F)c3)c(C)nc2s1
InChIInChI=1S/C15H15FN4OS/c1-8-4-5-11(6-12(8)16)14(21)17-7-13-9(2)18-15-20(13)19-10(3)22-15/h4-6H,7H2,1-3H3,(H,17,21)
InChIKeyHFGHRSXZMNPWPS-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.79
Rot. Bonds3

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

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide (PubChem CID 53163299) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide
PubChem CID53163299
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide
SMILESCc1nn2c(CNC(=O)c3ccc(C)c(F)c3)c(C)nc2s1
InChIInChI=1S/C15H15FN4OS/c1-8-4-5-11(6-12(8)16)14(21)17-7-13-9(2)18-15-20(13)19-10(3)22-15/h4-6H,7H2,1-3H3,(H,17,21)
InChIKeyHFGHRSXZMNPWPS-UHFFFAOYSA-N
XLogP2.79
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.79
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-fluoro-4-methylbenzamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide (CID 53163299) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide is Cc1nn2c(CNC(=O)c3ccc(C)c(F)c3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is HFGHRSXZMNPWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-8-4-5-11(6-12(8)16)14(21)17-7-13-9(2)18-15-20(13)19-10(3)22-15/h4-6H,7H2,1-3H3,(H,17,21).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 2.79, 3 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-fluoro-4-methylbenzamide is sourced from PubChem (CID 53163299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).