6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H29N5O2S — CID 55544673

IUPAC6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCC(C3CCOC3)N3CCOCC3)sc2n1
InChIInChI=1S/C18H29N5O2S/c1-18(2,3)15-11-23-17(20-15)26-16(21-23)19-10-14(13-4-7-25-12-13)22-5-8-24-9-6-22/h11,13-14H,4-10,12H2,1-3H3,(H,19,21)
InChIKeyFKMKRELLCDGKIR-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.24
Rot. Bonds5

About 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 55544673) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID55544673
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCC(C3CCOC3)N3CCOCC3)sc2n1
InChIInChI=1S/C18H29N5O2S/c1-18(2,3)15-11-23-17(20-15)26-16(21-23)19-10-14(13-4-7-25-12-13)22-5-8-24-9-6-22/h11,13-14H,4-10,12H2,1-3H3,(H,19,21)
InChIKeyFKMKRELLCDGKIR-UHFFFAOYSA-N
XLogP2.24
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-tert-butyl-N-(2-methyl-2-morpholin-4-ylbutyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 45886674
3-({6-Tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl}amino)-1-(morpholin-4-yl)propan-1-one
CID 45806959
6-tert-butyl-N-(2-methoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 17522021
6-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 33984479
6-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 33984482
6-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 33984486
6-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 33984488
6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 36828004
6-tert-butyl-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 36828006
4-(6-Tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
CID 45804150
6-Tert-butyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 45834587
6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054123

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 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) is 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)(C)c1cn2nc(NCC(C3CCOC3)N3CCOCC3)sc2n1.
What is the InChIKey of 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is FKMKRELLCDGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-18(2,3)15-11-23-17(20-15)26-16(21-23)19-10-14(13-4-7-25-12-13)22-5-8-24-9-6-22/h11,13-14H,4-10,12H2,1-3H3,(H,19,21).
What are the key properties of 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 379.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 55544673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).