2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole

C60H44Br2F2N8S4 — CID 159137663

IUPAC2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole
SMILESBrc1ccc(Cc2nc(-c3ccccc3)cs2)cc1.Brc1ccc(Cc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Cc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Cc2nc(-c3cncnc3)cs2)cc1
InChIInChI=1S/C16H12BrNS.C15H11BrN2S.C15H11FN2S.C14H10FN3S/c17-14-8-6-12(7-9-14)10-16-18-15(11-19-16)13-4-2-1-3-5-13;2*16-13-5-3-11(4-6-13)8-15-18-14(10-19-15)12-2-1-7-17-9-12;15-12-3-1-10(2-4-12)5-14-18-13(8-19-14)11-6-16-9-17-7-11/h1-9,11H,10H2;2*1-7,9-10H,8H2;1-4,6-9H,5H2
InChIKeyKHRXRBCIUFWMPH-UHFFFAOYSA-N
MW1203.14 g/mol
LogP16.99
Rot. Bonds12

About 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole

2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole (PubChem CID 159137663) has the molecular formula C60H44Br2F2N8S4 and a molecular weight of 1203.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole
PubChem CID159137663
Molecular FormulaC60H44Br2F2N8S4
Molecular Weight1203.14 g/mol
Exact Mass1200.09
IUPAC Name2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole
SMILESBrc1ccc(Cc2nc(-c3ccccc3)cs2)cc1.Brc1ccc(Cc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Cc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Cc2nc(-c3cncnc3)cs2)cc1
InChIInChI=1S/C16H12BrNS.C15H11BrN2S.C15H11FN2S.C14H10FN3S/c17-14-8-6-12(7-9-14)10-16-18-15(11-19-16)13-4-2-1-3-5-13;2*16-13-5-3-11(4-6-13)8-15-18-14(10-19-15)12-2-1-7-17-9-12;15-12-3-1-10(2-4-12)5-14-18-13(8-19-14)11-6-16-9-17-7-11/h1-9,11H,10H2;2*1-7,9-10H,8H2;1-4,6-9H,5H2
InChIKeyKHRXRBCIUFWMPH-UHFFFAOYSA-N
XLogP16.99
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.14
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole with MolForge

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Related Compounds

1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 157175676
4-[5-(4-Bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;4-[5-(4-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine
CID 157468445
2-[(4-Bromophenyl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(2,4-difluorophenyl)methyl]-4-(2-fluoro-4-methylphenyl)-1,3-thiazole;bis(2-[(2,4-difluorophenyl)methyl]-4-phenyl-1,3-thiazole);2-[(2,4-difluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;4-(2-fluoro-4-methylphenyl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole;4-phenyl-2-(3-phenylpropyl)-1,3-thiazole;2-(3-phenylpropyl)-4-pyridin-3-yl-1,3-thiazole
CID 157717106
7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine
CID 158440783
2-[5-(4-Bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 158566496
N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 158575192
N-(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 158817603
N-(4-bromophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;N-(4-bromophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-bromophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(2,4-difluorophenyl)-4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine;bis(N-(2,4-difluorophenyl)-4-phenyl-1,3-thiazol-2-amine);N-(2,4-difluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-(2-fluoro-4-methylphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine;N-(2-phenylethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 159427814
2-[[2-(2,3-Dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
CID 159753158
N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 159855904
3-Bromo-5-fluoropyridine;5-(5-fluoro-3-pyridinyl)-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole;2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
CID 159902509
2-[5-Bromo-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-(6-bromo-2-pyridinyl)-1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[5-(6-bromo-2-pyridinyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrazol-1-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 160036610

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole (CID 159137663) is 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole is Brc1ccc(Cc2nc(-c3ccccc3)cs2)cc1.Brc1ccc(Cc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Cc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Cc2nc(-c3cncnc3)cs2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole?
The InChIKey is KHRXRBCIUFWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNS.C15H11BrN2S.C15H11FN2S.C14H10FN3S/c17-14-8-6-12(7-9-14)10-16-18-15(11-19-16)13-4-2-1-3-5-13;2*16-13-5-3-11(4-6-13)8-15-18-14(10-19-15)12-2-1-7-17-9-12;15-12-3-1-10(2-4-12)5-14-18-13(8-19-14)11-6-16-9-17-7-11/h1-9,11H,10H2;2*1-7,9-10H,8H2;1-4,6-9H,5H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole?
2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole has a molecular weight of 1203.14 g/mol, XLogP of 16.99, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4-phenyl-1,3-thiazole;2-[(4-bromophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,3-thiazole;2-[(4-fluorophenyl)methyl]-4-pyrimidin-5-yl-1,3-thiazole is sourced from PubChem (CID 159137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).