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

C18H14BrN5S — CID 53034256

IUPAC5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1
InChIInChI=1S/C18H14BrN5S/c1-11-2-8-14(9-3-11)24-17(20)16(22-23-24)18-21-15(10-25-18)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3
InChIKeyQSDZJKWYKHOGDY-UHFFFAOYSA-N
MW412.32 g/mol
LogP4.71
Rot. Bonds3

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

5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine (PubChem CID 53034256) has the molecular formula C18H14BrN5S and a molecular weight of 412.32 g/mol. Its IUPAC name is 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
PubChem CID53034256
Molecular FormulaC18H14BrN5S
Molecular Weight412.32 g/mol
Exact Mass411.02
IUPAC Name5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1
InChIInChI=1S/C18H14BrN5S/c1-11-2-8-14(9-3-11)24-17(20)16(22-23-24)18-21-15(10-25-18)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3
InChIKeyQSDZJKWYKHOGDY-UHFFFAOYSA-N
XLogP4.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
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-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034218
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
3-(3-chloro-4-methylphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 45499545
5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
CID 53082527
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
5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034220
5-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)triazol-4-amine
CID 27245430

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
The IUPAC name of 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine (CID 53034256) is 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine is Cc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1.
What is the InChIKey of 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
The InChIKey is QSDZJKWYKHOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5S/c1-11-2-8-14(9-3-11)24-17(20)16(22-23-24)18-21-15(10-25-18)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3.
What are the key properties of 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine?
5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine has a molecular weight of 412.32 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine is sourced from PubChem (CID 53034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).