N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H21N5OS2 — CID 25334392

IUPACN-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cn3nc(NC[C@H](c4cccs4)N4CCOCC4)sc3n2)cc1
InChIInChI=1S/C20H21N5OS2/c1-2-5-15(6-3-1)16-14-25-20(22-16)28-19(23-25)21-13-17(18-7-4-12-27-18)24-8-10-26-11-9-24/h1-7,12,14,17H,8-11,13H2,(H,21,23)/t17-/m1/s1
InChIKeyZLNMUIMWKJUPMC-QGZVFWFLSA-N
MW411.56 g/mol
LogP4.00
Rot. Bonds6

About N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 25334392) has the molecular formula C20H21N5OS2 and a molecular weight of 411.56 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID25334392
Molecular FormulaC20H21N5OS2
Molecular Weight411.56 g/mol
Exact Mass411.12
IUPAC NameN-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cn3nc(NC[C@H](c4cccs4)N4CCOCC4)sc3n2)cc1
InChIInChI=1S/C20H21N5OS2/c1-2-5-15(6-3-1)16-14-25-20(22-16)28-19(23-25)21-13-17(18-7-4-12-27-18)24-8-10-26-11-9-24/h1-7,12,14,17H,8-11,13H2,(H,21,23)/t17-/m1/s1
InChIKeyZLNMUIMWKJUPMC-QGZVFWFLSA-N
XLogP4.00
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94003063
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25330725
N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25330357
5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 127616527
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 47018446
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 31489441
N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462641
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 31910848
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083929
3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 30825116

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 25334392) is N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(-c2cn3nc(NC[C@H](c4cccs4)N4CCOCC4)sc3n2)cc1.
What is the InChIKey of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is ZLNMUIMWKJUPMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5OS2/c1-2-5-15(6-3-1)16-14-25-20(22-16)28-19(23-25)21-13-17(18-7-4-12-27-18)24-8-10-26-11-9-24/h1-7,12,14,17H,8-11,13H2,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 411.56 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 25334392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).