5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine

C19H16BrN5OS — CID 53082527

IUPAC5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
SMILESCCOc1ccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)cc1
InChIInChI=1S/C19H16BrN5OS/c1-2-26-15-8-6-14(7-9-15)25-18(21)17(23-24-25)19-22-16(11-27-19)12-4-3-5-13(20)10-12/h3-11H,2,21H2,1H3
InChIKeyDMQGHCOAVKBDOS-UHFFFAOYSA-N
MW442.34 g/mol
LogP4.80
Rot. Bonds5

About 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine

5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine (PubChem CID 53082527) has the molecular formula C19H16BrN5OS and a molecular weight of 442.34 g/mol. Its IUPAC name is 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
PubChem CID53082527
Molecular FormulaC19H16BrN5OS
Molecular Weight442.34 g/mol
Exact Mass441.03
IUPAC Name5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
SMILESCCOc1ccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)cc1
InChIInChI=1S/C19H16BrN5OS/c1-2-26-15-8-6-14(7-9-15)25-18(21)17(23-24-25)19-22-16(11-27-19)12-4-3-5-13(20)10-12/h3-11H,2,21H2,1H3
InChIKeyDMQGHCOAVKBDOS-UHFFFAOYSA-N
XLogP4.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 45499383
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034256
5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034220
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
3-(3-chloro-4-methylphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 45499545
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 7185254
5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methylphenyl)triazol-4-amine
CID 53034314
5-(4-methyl-1,3-thiazol-2-yl)-3-phenyltriazol-4-amine
CID 46197538

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine?
The IUPAC name of 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine (CID 53082527) is 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine.
What is the SMILES notation for 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine?
The canonical SMILES for 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine is CCOc1ccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)cc1.
What is the InChIKey of 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine?
The InChIKey is DMQGHCOAVKBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5OS/c1-2-26-15-8-6-14(7-9-15)25-18(21)17(23-24-25)19-22-16(11-27-19)12-4-3-5-13(20)10-12/h3-11H,2,21H2,1H3.
What are the key properties of 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine?
5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine has a molecular weight of 442.34 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine is sourced from PubChem (CID 53082527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).