(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one

C19H13FN2OS2 — CID 163359900

IUPAC(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1csc(C(=O)/C=C/c2c(-c3ccc(F)cc3)nc3sccn23)c1
InChIInChI=1S/C19H13FN2OS2/c1-12-10-17(25-11-12)16(23)7-6-15-18(13-2-4-14(20)5-3-13)21-19-22(15)8-9-24-19/h2-11H,1H3/b7-6+
InChIKeySNQJZXZOIVGUCK-VOTSOKGWSA-N
MW368.46 g/mol
LogP5.47
Rot. Bonds4

About (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one

(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one (PubChem CID 163359900) has the molecular formula C19H13FN2OS2 and a molecular weight of 368.46 g/mol. Its IUPAC name is (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one
PubChem CID163359900
Molecular FormulaC19H13FN2OS2
Molecular Weight368.46 g/mol
Exact Mass368.05
IUPAC Name(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1csc(C(=O)/C=C/c2c(-c3ccc(F)cc3)nc3sccn23)c1
InChIInChI=1S/C19H13FN2OS2/c1-12-10-17(25-11-12)16(23)7-6-15-18(13-2-4-14(20)5-3-13)21-19-22(15)8-9-24-19/h2-11H,1H3/b7-6+
InChIKeySNQJZXZOIVGUCK-VOTSOKGWSA-N
XLogP5.47
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one (CID 163359900) is (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one is Cc1csc(C(=O)/C=C/c2c(-c3ccc(F)cc3)nc3sccn23)c1.
What is the InChIKey of (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one?
The InChIKey is SNQJZXZOIVGUCK-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H13FN2OS2/c1-12-10-17(25-11-12)16(23)7-6-15-18(13-2-4-14(20)5-3-13)21-19-22(15)8-9-24-19/h2-11H,1H3/b7-6+.
What are the key properties of (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one?
(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one has a molecular weight of 368.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylthiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 163359900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).