4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine

C19H17ClN4O2S — CID 133494220

IUPAC4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2COCCN2c2nn3cc(-c4ccc(Cl)cc4)nc3s2)o1
InChIInChI=1S/C19H17ClN4O2S/c1-12-2-7-17(26-12)16-11-25-9-8-23(16)19-22-24-10-15(21-18(24)27-19)13-3-5-14(20)6-4-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyVOXYIWWKDNETAL-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.59
Rot. Bonds3

About 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine

4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine (PubChem CID 133494220) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine
PubChem CID133494220
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2COCCN2c2nn3cc(-c4ccc(Cl)cc4)nc3s2)o1
InChIInChI=1S/C19H17ClN4O2S/c1-12-2-7-17(26-12)16-11-25-9-8-23(16)19-22-24-10-15(21-18(24)27-19)13-3-5-14(20)6-4-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyVOXYIWWKDNETAL-UHFFFAOYSA-N
XLogP4.59
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133494765
1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol
CID 167905553
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
CID 133495191
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 133494332
6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209571
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906850
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine
CID 133403948
4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133494255
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750647

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine?
The IUPAC name of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine (CID 133494220) is 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine is Cc1ccc(C2COCCN2c2nn3cc(-c4ccc(Cl)cc4)nc3s2)o1.
What is the InChIKey of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine?
The InChIKey is VOXYIWWKDNETAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-12-2-7-17(26-12)16-11-25-9-8-23(16)19-22-24-10-15(21-18(24)27-19)13-3-5-14(20)6-4-13/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine?
4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine has a molecular weight of 400.89 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 133494220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).