N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine

C17H23N5S — CID 25330374

IUPACN,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C17H23N5S/c1-17(2,12-21(3)4)11-18-15-20-22-10-14(19-16(22)23-15)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,18,20)
InChIKeyONCVDUPTHCCYCM-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.46
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine (PubChem CID 25330374) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine
PubChem CID25330374
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC NameN,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C17H23N5S/c1-17(2,12-21(3)4)11-18-15-20-22-10-14(19-16(22)23-15)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,18,20)
InChIKeyONCVDUPTHCCYCM-UHFFFAOYSA-N
XLogP3.46
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine (CID 25330374) is N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine is CN(C)CC(C)(C)CNc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine?
The InChIKey is ONCVDUPTHCCYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-17(2,12-21(3)4)11-18-15-20-22-10-14(19-16(22)23-15)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,18,20).
What are the key properties of N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine has a molecular weight of 329.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 25330374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).