4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C11H11BrN2O2S — CID 79400359

IUPAC4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(Br)cs2)cc1OC
InChIInChI=1S/C11H11BrN2O2S/c1-15-8-4-3-7(5-9(8)16-2)13-11-14-10(12)6-17-11/h3-6H,1-2H3,(H,13,14)
InChIKeyUIYACIVHAGOWEB-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.67
Rot. Bonds4

About 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 79400359) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID79400359
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(Br)cs2)cc1OC
InChIInChI=1S/C11H11BrN2O2S/c1-15-8-4-3-7(5-9(8)16-2)13-11-14-10(12)6-17-11/h3-6H,1-2H3,(H,13,14)
InChIKeyUIYACIVHAGOWEB-UHFFFAOYSA-N
XLogP3.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 79400376
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83156364
4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine
CID 81259901
4-bromo-N-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 79398809
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 63961087
4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 118719853
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 79400359) is 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(Br)cs2)cc1OC.
What is the InChIKey of 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is UIYACIVHAGOWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-15-8-4-3-7(5-9(8)16-2)13-11-14-10(12)6-17-11/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 315.19 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).