4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide

C18H19BrN2O3S — CID 2877323

IUPAC4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C18H18N2O3S.BrH/c1-21-14-7-5-13(6-8-14)19-18-20-15(11-24-18)12-4-9-16(22-2)17(10-12)23-3;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyZGGAVDUIQQCVKK-UHFFFAOYSA-N
MW423.33 g/mol
LogP5.16
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide

4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2877323) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2877323
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C18H18N2O3S.BrH/c1-21-14-7-5-13(6-8-14)19-18-20-15(11-24-18)12-4-9-16(22-2)17(10-12)23-3;/h4-11H,1-3H3,(H,19,20);1H
InChIKeyZGGAVDUIQQCVKK-UHFFFAOYSA-N
XLogP5.16
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;hydrobromide
CID 171669300
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 23889665
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 122499744
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
3-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 4224537
4-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
CID 124927933

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2877323) is 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is ZGGAVDUIQQCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S.BrH/c1-21-14-7-5-13(6-8-14)19-18-20-15(11-24-18)12-4-9-16(22-2)17(10-12)23-3;/h4-11H,1-3H3,(H,19,20);1H.
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 423.33 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2877323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).