1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone

C19H15FN2OS — CID 122190919

IUPAC1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
SMILESCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(F)cc1
InChIInChI=1S/C19H15FN2OS/c1-11-17(12(2)23)18(13-7-9-14(20)10-8-13)22-15-5-3-4-6-16(15)24-19(22)21-11/h3-10,18H,1-2H3
InChIKeyFYPJUCQVAZECCH-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.71
Rot. Bonds2

About 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone

1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone (PubChem CID 122190919) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
PubChem CID122190919
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
SMILESCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(F)cc1
InChIInChI=1S/C19H15FN2OS/c1-11-17(12(2)23)18(13-7-9-14(20)10-8-13)22-15-5-3-4-6-16(15)24-19(22)21-11/h3-10,18H,1-2H3
InChIKeyFYPJUCQVAZECCH-UHFFFAOYSA-N
XLogP4.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-pentyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 155569209
1-[2-methyl-4-(3-nitrophenyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
CID 122190923
4-Phenyl-2H-pyrimido(2,1-B)(1,3)benzothiazol-2-one
CID 10084936
(2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 73351085
12-(4-fluorophenyl)-3,3-dimethyl-4,12-dihydro-2H-[1,3]benzothiazolo[2,3-b]quinazolin-1-one
CID 118726551
3,3-dimethyl-12-[4-(trifluoromethyl)phenyl]-4,12-dihydro-2H-[1,3]benzothiazolo[2,3-b]quinazolin-1-one
CID 118726552
3,3-dimethyl-12-[2-(trifluoromethyl)phenyl]-4,12-dihydro-2H-[1,3]benzothiazolo[2,3-b]quinazolin-1-one
CID 118726553
N-(3-pentyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide
CID 155553908
1-[4-(4-chlorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
CID 101899357
1-[2-methyl-4-(4-nitrophenyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
CID 122190924
1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
CID 122190929
1-[2-methyl-4-(3-nitrophenyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
CID 122190933

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone (CID 122190919) is 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone is CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone?
The InChIKey is FYPJUCQVAZECCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-11-17(12(2)23)18(13-7-9-14(20)10-8-13)22-15-5-3-4-6-16(15)24-19(22)21-11/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone?
1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone is sourced from PubChem (CID 122190919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).