N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C23H27N7O2S — CID 67222167

IUPACN-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(CNc2nn3cc(-c4ccc(NCCN5CCOCC5)nc4)nc3s2)cc1
InChIInChI=1S/C23H27N7O2S/c1-31-19-5-2-17(3-6-19)14-26-22-28-30-16-20(27-23(30)33-22)18-4-7-21(25-15-18)24-8-9-29-10-12-32-13-11-29/h2-7,15-16H,8-14H2,1H3,(H,24,25)(H,26,28)
InChIKeyUQGZTOXNEKMCOZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.22
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67222167) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67222167
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(CNc2nn3cc(-c4ccc(NCCN5CCOCC5)nc4)nc3s2)cc1
InChIInChI=1S/C23H27N7O2S/c1-31-19-5-2-17(3-6-19)14-26-22-28-30-16-20(27-23(30)33-22)18-4-7-21(25-15-18)24-8-9-29-10-12-32-13-11-29/h2-7,15-16H,8-14H2,1H3,(H,24,25)(H,26,28)
InChIKeyUQGZTOXNEKMCOZ-UHFFFAOYSA-N
XLogP3.22
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67222167) is N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(CNc2nn3cc(-c4ccc(NCCN5CCOCC5)nc4)nc3s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UQGZTOXNEKMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-31-19-5-2-17(3-6-19)14-26-22-28-30-16-20(27-23(30)33-22)18-4-7-21(25-15-18)24-8-9-29-10-12-32-13-11-29/h2-7,15-16H,8-14H2,1H3,(H,24,25)(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 465.58 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67222167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).