1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine

C13H13BrN2OS — CID 116967629

IUPAC1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESCOc1ccc(Br)cc1-c1csc(C2(N)CC2)n1
InChIInChI=1S/C13H13BrN2OS/c1-17-11-3-2-8(14)6-9(11)10-7-18-12(16-10)13(15)4-5-13/h2-3,6-7H,4-5,15H2,1H3
InChIKeyBFIXRNJNFTYZGG-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.53
Rot. Bonds3

About 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine

1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine (PubChem CID 116967629) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
PubChem CID116967629
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESCOc1ccc(Br)cc1-c1csc(C2(N)CC2)n1
InChIInChI=1S/C13H13BrN2OS/c1-17-11-3-2-8(14)6-9(11)10-7-18-12(16-10)13(15)4-5-13/h2-3,6-7H,4-5,15H2,1H3
InChIKeyBFIXRNJNFTYZGG-UHFFFAOYSA-N
XLogP3.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 82967342
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 82308937
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 55132526
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
CID 61338459
3-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866801
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 116890784
1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
CID 84814976
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine (CID 116967629) is 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine is COc1ccc(Br)cc1-c1csc(C2(N)CC2)n1.
What is the InChIKey of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The InChIKey is BFIXRNJNFTYZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-17-11-3-2-8(14)6-9(11)10-7-18-12(16-10)13(15)4-5-13/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine has a molecular weight of 325.23 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116967629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).