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

C15H17N5OS — CID 58285707

IUPAC3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESCC(C)CNc1nn2c(-c3cccc(C(N)=O)c3)cnc2s1
InChIInChI=1S/C15H17N5OS/c1-9(2)7-17-14-19-20-12(8-18-15(20)22-14)10-4-3-5-11(6-10)13(16)21/h3-6,8-9H,7H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyUQRYXRREGUGQCQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.62
Rot. Bonds5

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

3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (PubChem CID 58285707) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
PubChem CID58285707
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESCC(C)CNc1nn2c(-c3cccc(C(N)=O)c3)cnc2s1
InChIInChI=1S/C15H17N5OS/c1-9(2)7-17-14-19-20-12(8-18-15(20)22-14)10-4-3-5-11(6-10)13(16)21/h3-6,8-9H,7H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyUQRYXRREGUGQCQ-UHFFFAOYSA-N
XLogP2.62
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The IUPAC name of 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (CID 58285707) is 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The canonical SMILES for 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is CC(C)CNc1nn2c(-c3cccc(C(N)=O)c3)cnc2s1.
What is the InChIKey of 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The InChIKey is UQRYXRREGUGQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9(2)7-17-14-19-20-12(8-18-15(20)22-14)10-4-3-5-11(6-10)13(16)21/h3-6,8-9H,7H2,1-2H3,(H2,16,21)(H,17,19).
What are the key properties of 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide has a molecular weight of 315.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is sourced from PubChem (CID 58285707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).