N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide

C21H17BrN4O2S — CID 1490075

IUPACN-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3NC(C)=O)n2)cc1
InChIInChI=1S/C21H17BrN4O2S/c1-13(27)23-20-11-18(14-3-7-16(22)8-4-14)25-26(20)21-24-19(12-29-21)15-5-9-17(28-2)10-6-15/h3-12H,1-2H3,(H,23,27)
InChIKeyJYPCALGWVQTBTC-UHFFFAOYSA-N
MW469.36 g/mol
LogP5.39
Rot. Bonds5

About N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide

N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide (PubChem CID 1490075) has the molecular formula C21H17BrN4O2S and a molecular weight of 469.36 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
PubChem CID1490075
Molecular FormulaC21H17BrN4O2S
Molecular Weight469.36 g/mol
Exact Mass468.03
IUPAC NameN-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3NC(C)=O)n2)cc1
InChIInChI=1S/C21H17BrN4O2S/c1-13(27)23-20-11-18(14-3-7-16(22)8-4-14)25-26(20)21-24-19(12-29-21)15-5-9-17(28-2)10-6-15/h3-12H,1-2H3,(H,23,27)
InChIKeyJYPCALGWVQTBTC-UHFFFAOYSA-N
XLogP5.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.36
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-yl]-2-chloroacetamide
CID 2715964
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 4873520
2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25282015
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 22308209
ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 1498339
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 25282145
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 23765637
(Z)-3-(4-bromophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722892
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide (CID 1490075) is N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide is COc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3NC(C)=O)n2)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The InChIKey is JYPCALGWVQTBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2S/c1-13(27)23-20-11-18(14-3-7-16(22)8-4-14)25-26(20)21-24-19(12-29-21)15-5-9-17(28-2)10-6-15/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide has a molecular weight of 469.36 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide is sourced from PubChem (CID 1490075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).