2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine

C14H17BrN2S — CID 116887215

IUPAC2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1sc(-c2ccccc2Br)nc1C
InChIInChI=1S/C14H17BrN2S/c1-3-10(8-16)13-9(2)17-14(18-13)11-6-4-5-7-12(11)15/h4-7,10H,3,8,16H2,1-2H3
InChIKeyRMQFANLDXYBZJK-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.33
Rot. Bonds4

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

2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 116887215) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
PubChem CID116887215
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
SMILESCCC(CN)c1sc(-c2ccccc2Br)nc1C
InChIInChI=1S/C14H17BrN2S/c1-3-10(8-16)13-9(2)17-14(18-13)11-6-4-5-7-12(11)15/h4-7,10H,3,8,16H2,1-2H3
InChIKeyRMQFANLDXYBZJK-UHFFFAOYSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine (CID 116887215) is 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine is CCC(CN)c1sc(-c2ccccc2Br)nc1C.
What is the InChIKey of 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is RMQFANLDXYBZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-10(8-16)13-9(2)17-14(18-13)11-6-4-5-7-12(11)15/h4-7,10H,3,8,16H2,1-2H3.
What are the key properties of 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine?
2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116887215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).