N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H18N4S — CID 58285483

IUPACN-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)CNc1nn2c(-c3ccc4ccccc4c3)cnc2s1
InChIInChI=1S/C18H18N4S/c1-12(2)10-19-17-21-22-16(11-20-18(22)23-17)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12H,10H2,1-2H3,(H,19,21)
InChIKeyCGYQFWLWTXHONV-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.68
Rot. Bonds4

About N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285483) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285483
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC NameN-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)CNc1nn2c(-c3ccc4ccccc4c3)cnc2s1
InChIInChI=1S/C18H18N4S/c1-12(2)10-19-17-21-22-16(11-20-18(22)23-17)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12H,10H2,1-2H3,(H,19,21)
InChIKeyCGYQFWLWTXHONV-UHFFFAOYSA-N
XLogP4.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285483) is N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)CNc1nn2c(-c3ccc4ccccc4c3)cnc2s1.
What is the InChIKey of N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is CGYQFWLWTXHONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-12(2)10-19-17-21-22-16(11-20-18(22)23-17)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 322.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).