2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide

C6H12Br2N2S — CID 53398787

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
SMILESBr.Br.Cc1ncsc1CCN
InChIInChI=1S/C6H10N2S.2BrH/c1-5-6(2-3-7)9-4-8-5;;/h4H,2-3,7H2,1H3;2*1H
InChIKeyZKLGVMDJEVAZGI-UHFFFAOYSA-N
MW304.05 g/mol
LogP2.11
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide

2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide (PubChem CID 53398787) has the molecular formula C6H12Br2N2S and a molecular weight of 304.05 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
PubChem CID53398787
Molecular FormulaC6H12Br2N2S
Molecular Weight304.05 g/mol
Exact Mass301.91
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
SMILESBr.Br.Cc1ncsc1CCN
InChIInChI=1S/C6H10N2S.2BrH/c1-5-6(2-3-7)9-4-8-5;;/h4H,2-3,7H2,1H3;2*1H
InChIKeyZKLGVMDJEVAZGI-UHFFFAOYSA-N
XLogP2.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.05
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
5-(2-azidoethyl)-4-methyl-1,3-thiazole
CID 54670922
CID 66818170
CID 66818170
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide (CID 53398787) is 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide is Br.Br.Cc1ncsc1CCN.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide?
The InChIKey is ZKLGVMDJEVAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.2BrH/c1-5-6(2-3-7)9-4-8-5;;/h4H,2-3,7H2,1H3;2*1H.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide?
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide has a molecular weight of 304.05 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide is sourced from PubChem (CID 53398787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).