N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide

C19H22FN5O2S3 — CID 123610035

IUPACN-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(CSc2nnc(C)s2)c(C(C)C)n1
InChIInChI=1S/C19H22FN5O2S3/c1-5-30(26,27)25-18-21-16(11(2)3)15(10-28-19-24-23-12(4)29-19)17(22-18)13-6-8-14(20)9-7-13/h6-9,11H,5,10H2,1-4H3,(H,21,22,25)
InChIKeyZHDZFVYWNCWPCO-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.62
Rot. Bonds8

About N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide

N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (PubChem CID 123610035) has the molecular formula C19H22FN5O2S3 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
PubChem CID123610035
Molecular FormulaC19H22FN5O2S3
Molecular Weight467.62 g/mol
Exact Mass467.09
IUPAC NameN-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(CSc2nnc(C)s2)c(C(C)C)n1
InChIInChI=1S/C19H22FN5O2S3/c1-5-30(26,27)25-18-21-16(11(2)3)15(10-28-19-24-23-12(4)29-19)17(22-18)13-6-8-14(20)9-7-13/h6-9,11H,5,10H2,1-4H3,(H,21,22,25)
InChIKeyZHDZFVYWNCWPCO-UHFFFAOYSA-N
XLogP4.62
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide 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-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide
CID 71879853
N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
CID 54575497
N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonylmethyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
CID 54575554
N-[5-[(E,3S,5S)-3,5-dimethylhept-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]methanesulfonamide
CID 60064097
N-[5-ethenyl-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
CID 67321813
5-Ethyl-4-(4-fluorophenyl)-2-(1-methylsulfonylethyl)-6-propan-2-ylpyrimidine
CID 68219138
N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
CID 68573433
N-[4-(4-fluorophenyl)-5-(phosphanylmethyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
CID 69183652
N-[4-(4-fluorophenyl)-5-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
CID 69239545
N-[4-(4-fluorophenyl)-5-(phosphorosomethyl)-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
CID 89713097
1-[4-(4-Fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
CID 91242091
N-[4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide
CID 91404692

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide (CID 123610035) is N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(CSc2nnc(C)s2)c(C(C)C)n1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
The InChIKey is ZHDZFVYWNCWPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S3/c1-5-30(26,27)25-18-21-16(11(2)3)15(10-28-19-24-23-12(4)29-19)17(22-18)13-6-8-14(20)9-7-13/h6-9,11H,5,10H2,1-4H3,(H,21,22,25).
What are the key properties of N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide?
N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide has a molecular weight of 467.62 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-ylpyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 123610035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).