2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole

C14H10ClFIN3S — CID 146290252

IUPAC2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESCC1=C(I)C(c2ccc(F)cc2Cl)N=C(c2nccs2)N1
InChIInChI=1S/C14H10ClFIN3S/c1-7-11(17)12(9-3-2-8(16)6-10(9)15)20-13(19-7)14-18-4-5-21-14/h2-6,12H,1H3,(H,19,20)
InChIKeyFDVBBNXOMAJQBU-UHFFFAOYSA-N
MW433.68 g/mol
LogP4.69
Rot. Bonds2

About 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole

2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (PubChem CID 146290252) has the molecular formula C14H10ClFIN3S and a molecular weight of 433.68 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
PubChem CID146290252
Molecular FormulaC14H10ClFIN3S
Molecular Weight433.68 g/mol
Exact Mass432.93
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESCC1=C(I)C(c2ccc(F)cc2Cl)N=C(c2nccs2)N1
InChIInChI=1S/C14H10ClFIN3S/c1-7-11(17)12(9-3-2-8(16)6-10(9)15)20-13(19-7)14-18-4-5-21-14/h2-6,12H,1H3,(H,19,20)
InChIKeyFDVBBNXOMAJQBU-UHFFFAOYSA-N
XLogP4.69
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.68
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole 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

CID 157139862
CID 157139862
ethyl (4R)-4-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 141393746
ethyl 4-(2-chloro-4-fluorophenyl)-6-cyclohexyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 146591233
4-[(4S)-4-(2-chloro-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]cubane-1-carboxylic acid
CID 164928895
ethyl (4R)-4-(2-chloro-4-fluorophenyl)-6-[(3,3-difluoroazetidin-1-yl)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 134533986
4-(2-chloro-4-fluorophenyl)-6-[4-(methylamino)cyclohexyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylic acid
CID 146591238
methyl 4-(2-chloro-4-fluorophenyl)-6-(3-methylcyclobutyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 147794403
methyl (4S)-4-(2-bromo-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 118409684
1-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-difluoropyrrolidine-2-carboxylic acid
CID 144585310
2-[1-[[4-(2-chloro-4-fluorophenyl)-5-ethoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-fluoroazetidin-2-yl]acetic acid
CID 164839013
ethyl 4-(2-bromo-4-fluorophenyl)-6-[(3,5-difluoro-4-hydroxypiperidin-1-yl)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate;ethyl 4-(2-chloro-4-fluorophenyl)-6-[(3,5-difluoro-4-hydroxypiperidin-1-yl)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 167563299
1-[1-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-ethylaziridin-2-yl]propan-2-ol
CID 137126275

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (CID 146290252) is 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is CC1=C(I)C(c2ccc(F)cc2Cl)N=C(c2nccs2)N1.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The InChIKey is FDVBBNXOMAJQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFIN3S/c1-7-11(17)12(9-3-2-8(16)6-10(9)15)20-13(19-7)14-18-4-5-21-14/h2-6,12H,1H3,(H,19,20).
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole has a molecular weight of 433.68 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)-5-iodo-6-methyl-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 146290252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).