N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

C17H21N5OS — CID 58285836

IUPACN,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESCC(C)CNc1nn2c(-c3cccc(C(=O)N(C)C)c3)cnc2s1
InChIInChI=1S/C17H21N5OS/c1-11(2)9-18-16-20-22-14(10-19-17(22)24-16)12-6-5-7-13(8-12)15(23)21(3)4/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyRISHBUAIGFJJAA-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.23
Rot. Bonds5

About N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (PubChem CID 58285836) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
PubChem CID58285836
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESCC(C)CNc1nn2c(-c3cccc(C(=O)N(C)C)c3)cnc2s1
InChIInChI=1S/C17H21N5OS/c1-11(2)9-18-16-20-22-14(10-19-17(22)24-16)12-6-5-7-13(8-12)15(23)21(3)4/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyRISHBUAIGFJJAA-UHFFFAOYSA-N
XLogP3.23
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (CID 58285836) is N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is CC(C)CNc1nn2c(-c3cccc(C(=O)N(C)C)c3)cnc2s1.
What is the InChIKey of N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The InChIKey is RISHBUAIGFJJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11(2)9-18-16-20-22-14(10-19-17(22)24-16)12-6-5-7-13(8-12)15(23)21(3)4/h5-8,10-11H,9H2,1-4H3,(H,18,20).
What are the key properties of N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide has a molecular weight of 343.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is sourced from PubChem (CID 58285836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).