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

C19H25N5OS — CID 25330725

IUPACN-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)[C@@H](CNc1nn2cc(-c3ccccc3)nc2s1)N1CCOCC1
InChIInChI=1S/C19H25N5OS/c1-14(2)17(23-8-10-25-11-9-23)12-20-18-22-24-13-16(21-19(24)26-18)15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyLCRPZIHIRVTTSL-QGZVFWFLSA-N
MW371.51 g/mol
LogP3.23
Rot. Bonds6

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

N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 25330725) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID25330725
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)[C@@H](CNc1nn2cc(-c3ccccc3)nc2s1)N1CCOCC1
InChIInChI=1S/C19H25N5OS/c1-14(2)17(23-8-10-25-11-9-23)12-20-18-22-24-13-16(21-19(24)26-18)15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyLCRPZIHIRVTTSL-QGZVFWFLSA-N
XLogP3.23
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25334392
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
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-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
CID 133371007
N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462641
3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine
CID 42892067
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221230
3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propane-1,2-diol
CID 133494882
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 2127052
6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55544673
N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221495

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 25330725) is N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)[C@@H](CNc1nn2cc(-c3ccccc3)nc2s1)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LCRPZIHIRVTTSL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-14(2)17(23-8-10-25-11-9-23)12-20-18-22-24-13-16(21-19(24)26-18)15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 371.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 25330725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).