2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide

C7H13BrN2S — CID 45261526

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
SMILESBr.Cc1nc(C)c(CCN)s1
InChIInChI=1S/C7H12N2S.BrH/c1-5-7(3-4-8)10-6(2)9-5;/h3-4,8H2,1-2H3;1H
InChIKeyHNCRMJFKDKHUCO-UHFFFAOYSA-N
MW237.17 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide

2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide (PubChem CID 45261526) has the molecular formula C7H13BrN2S and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
PubChem CID45261526
Molecular FormulaC7H13BrN2S
Molecular Weight237.17 g/mol
Exact Mass236.00
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
SMILESBr.Cc1nc(C)c(CCN)s1
InChIInChI=1S/C7H12N2S.BrH/c1-5-7(3-4-8)10-6(2)9-5;/h3-4,8H2,1-2H3;1H
InChIKeyHNCRMJFKDKHUCO-UHFFFAOYSA-N
XLogP1.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide (CID 45261526) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide is Br.Cc1nc(C)c(CCN)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide?
The InChIKey is HNCRMJFKDKHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.BrH/c1-5-7(3-4-8)10-6(2)9-5;/h3-4,8H2,1-2H3;1H.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide has a molecular weight of 237.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide is sourced from PubChem (CID 45261526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).