1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C18H18FN3O2S — CID 45196804

IUPAC1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FN3O2S/c19-14-3-1-13(2-4-14)9-16-12-21(5-7-24-16)17(23)10-15-11-22-6-8-25-18(22)20-15/h1-4,6,8,11,16H,5,7,9-10,12H2
InChIKeyDHDJFBCRFQIMMZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 45196804) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID45196804
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FN3O2S/c19-14-3-1-13(2-4-14)9-16-12-21(5-7-24-16)17(23)10-15-11-22-6-8-25-18(22)20-15/h1-4,6,8,11,16H,5,7,9-10,12H2
InChIKeyDHDJFBCRFQIMMZ-UHFFFAOYSA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 45196804) is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is DHDJFBCRFQIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-14-3-1-13(2-4-14)9-16-12-21(5-7-24-16)17(23)10-15-11-22-6-8-25-18(22)20-15/h1-4,6,8,11,16H,5,7,9-10,12H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 359.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 45196804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).