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

C15H19BrN2S — CID 116884948

IUPAC4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine
SMILESCc1nc(-c2ccccc2Br)sc1CCC(C)(C)N
InChIInChI=1S/C15H19BrN2S/c1-10-13(8-9-15(2,3)17)19-14(18-10)11-6-4-5-7-12(11)16/h4-7H,8-9,17H2,1-3H3
InChIKeyRGMOHPGMXJLSMS-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.55
Rot. Bonds4

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

4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine (PubChem CID 116884948) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine
PubChem CID116884948
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine
SMILESCc1nc(-c2ccccc2Br)sc1CCC(C)(C)N
InChIInChI=1S/C15H19BrN2S/c1-10-13(8-9-15(2,3)17)19-14(18-10)11-6-4-5-7-12(11)16/h4-7H,8-9,17H2,1-3H3
InChIKeyRGMOHPGMXJLSMS-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanethiol
CID 116885779
4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-2-one
CID 116886477
N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403555
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 112706350
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
2-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
CID 116887215
3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
CID 116884811
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 84609516
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine?
The IUPAC name of 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine (CID 116884948) is 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine is Cc1nc(-c2ccccc2Br)sc1CCC(C)(C)N.
What is the InChIKey of 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine?
The InChIKey is RGMOHPGMXJLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-10-13(8-9-15(2,3)17)19-14(18-10)11-6-4-5-7-12(11)16/h4-7H,8-9,17H2,1-3H3.
What are the key properties of 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine?
4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 116884948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).