N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide

C24H27N5OS — CID 171357815

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(-c2nn3cc(-c4ccccc4)nc3s2)cc1
InChIInChI=1S/C24H27N5OS/c1-24(2,16-28(3)4)15-25-21(30)18-10-12-19(13-11-18)22-27-29-14-20(26-23(29)31-22)17-8-6-5-7-9-17/h5-14H,15-16H2,1-4H3,(H,25,30)
InChIKeyYIJASCLLKZOBDK-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.44
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide (PubChem CID 171357815) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
PubChem CID171357815
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(-c2nn3cc(-c4ccccc4)nc3s2)cc1
InChIInChI=1S/C24H27N5OS/c1-24(2,16-28(3)4)15-25-21(30)18-10-12-19(13-11-18)22-27-29-14-20(26-23(29)31-22)17-8-6-5-7-9-17/h5-14H,15-16H2,1-4H3,(H,25,30)
InChIKeyYIJASCLLKZOBDK-UHFFFAOYSA-N
XLogP4.44
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide (CID 171357815) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide is CN(C)CC(C)(C)CNC(=O)c1ccc(-c2nn3cc(-c4ccccc4)nc3s2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
The InChIKey is YIJASCLLKZOBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-24(2,16-28(3)4)15-25-21(30)18-10-12-19(13-11-18)22-27-29-14-20(26-23(29)31-22)17-8-6-5-7-9-17/h5-14H,15-16H2,1-4H3,(H,25,30).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide has a molecular weight of 433.58 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide is sourced from PubChem (CID 171357815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).