5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine

C10H8BrClN2OS — CID 116864286

IUPAC5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
SMILESCOc1ccc(Cl)cc1-c1nc(N)c(Br)s1
InChIInChI=1S/C10H8BrClN2OS/c1-15-7-3-2-5(12)4-6(7)10-14-9(13)8(11)16-10/h2-4H,13H2,1H3
InChIKeyMTBZSQOHVQFPFT-UHFFFAOYSA-N
MW319.61 g/mol
LogP3.82
Rot. Bonds2

About 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine

5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine (PubChem CID 116864286) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
PubChem CID116864286
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
SMILESCOc1ccc(Cl)cc1-c1nc(N)c(Br)s1
InChIInChI=1S/C10H8BrClN2OS/c1-15-7-3-2-5(12)4-6(7)10-14-9(13)8(11)16-10/h2-4H,13H2,1H3
InChIKeyMTBZSQOHVQFPFT-UHFFFAOYSA-N
XLogP3.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864302
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 66847284
5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 87577268
5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 63798640
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287
2-(5-chloro-2-methoxyphenyl)-5-methylaniline
CID 82767066
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine (CID 116864286) is 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine is COc1ccc(Cl)cc1-c1nc(N)c(Br)s1.
What is the InChIKey of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine?
The InChIKey is MTBZSQOHVQFPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-15-7-3-2-5(12)4-6(7)10-14-9(13)8(11)16-10/h2-4H,13H2,1H3.
What are the key properties of 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine?
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine has a molecular weight of 319.61 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116864286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).