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

C14H13ClN4OS — CID 53163060

IUPAC2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
SMILESCc1nn2c(CNC(=O)c3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C14H13ClN4OS/c1-8-12(19-14(17-8)21-9(2)18-19)7-16-13(20)10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H,16,20)
InChIKeyRXRLARPICNDRBC-UHFFFAOYSA-N
MW320.81 g/mol
LogP2.99
Rot. Bonds3

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

2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide (PubChem CID 53163060) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
PubChem CID53163060
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
SMILESCc1nn2c(CNC(=O)c3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C14H13ClN4OS/c1-8-12(19-14(17-8)21-9(2)18-19)7-16-13(20)10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H,16,20)
InChIKeyRXRLARPICNDRBC-UHFFFAOYSA-N
XLogP2.99
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide (CID 53163060) is 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide is Cc1nn2c(CNC(=O)c3ccccc3Cl)c(C)nc2s1.
What is the InChIKey of 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
The InChIKey is RXRLARPICNDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-8-12(19-14(17-8)21-9(2)18-19)7-16-13(20)10-5-3-4-6-11(10)15/h3-6H,7H2,1-2H3,(H,16,20).
What are the key properties of 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide has a molecular weight of 320.81 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 53163060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).