N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C22H23N5OS — CID 25479190

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cn3nc(NCc4ccccc4CN4CCOCC4)sc3n2)cc1
InChIInChI=1S/C22H23N5OS/c1-2-6-17(7-3-1)20-16-27-22(24-20)29-21(25-27)23-14-18-8-4-5-9-19(18)15-26-10-12-28-13-11-26/h1-9,16H,10-15H2,(H,23,25)
InChIKeyIBGQJTXKTGRCLM-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.90
Rot. Bonds6

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 25479190) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID25479190
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cn3nc(NCc4ccccc4CN4CCOCC4)sc3n2)cc1
InChIInChI=1S/C22H23N5OS/c1-2-6-17(7-3-1)20-16-27-22(24-20)29-21(25-27)23-14-18-8-4-5-9-19(18)15-26-10-12-28-13-11-26/h1-9,16H,10-15H2,(H,23,25)
InChIKeyIBGQJTXKTGRCLM-UHFFFAOYSA-N
XLogP3.90
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 25479190) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(-c2cn3nc(NCc4ccccc4CN4CCOCC4)sc3n2)cc1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IBGQJTXKTGRCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-2-6-17(7-3-1)20-16-27-22(24-20)29-21(25-27)23-14-18-8-4-5-9-19(18)15-26-10-12-28-13-11-26/h1-9,16H,10-15H2,(H,23,25).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 405.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 25479190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).