N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

C20H16FN3OS — CID 71962264

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C20H16FN3OS/c21-16-6-1-14(2-7-16)3-10-19(25)22-17-8-4-15(5-9-17)18-13-24-11-12-26-20(24)23-18/h1-10,13H,11-12H2,(H,22,25)
InChIKeyPWPYKQLFTDNVQG-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.45
Rot. Bonds4

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 71962264) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID71962264
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C20H16FN3OS/c21-16-6-1-14(2-7-16)3-10-19(25)22-17-8-4-15(5-9-17)18-13-24-11-12-26-20(24)23-18/h1-10,13H,11-12H2,(H,22,25)
InChIKeyPWPYKQLFTDNVQG-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108770202
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6139011
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 121107548
6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 158709331
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
2-[4-[3-(4-fluorophenyl)prop-2-enoylamino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 67068824
(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
(E)-N-[4-(cyanomethyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193784
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (CID 71962264) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is PWPYKQLFTDNVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c21-16-6-1-14(2-7-16)3-10-19(25)22-17-8-4-15(5-9-17)18-13-24-11-12-26-20(24)23-18/h1-10,13H,11-12H2,(H,22,25).
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 71962264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).