(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide

C9H17BrN2S — CID 161142137

IUPAC(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide
SMILESBr.CC(C)[C@H](CN)Cc1nccs1
InChIInChI=1S/C9H16N2S.BrH/c1-7(2)8(6-10)5-9-11-3-4-12-9;/h3-4,7-8H,5-6,10H2,1-2H3;1H/t8-;/m0./s1
InChIKeyHFMUJZVDDKFKTD-QRPNPIFTSA-N
MW265.22 g/mol
LogP2.49
Rot. Bonds4

About (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide

(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide (PubChem CID 161142137) has the molecular formula C9H17BrN2S and a molecular weight of 265.22 g/mol. Its IUPAC name is (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide
PubChem CID161142137
Molecular FormulaC9H17BrN2S
Molecular Weight265.22 g/mol
Exact Mass264.03
IUPAC Name(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide
SMILESBr.CC(C)[C@H](CN)Cc1nccs1
InChIInChI=1S/C9H16N2S.BrH/c1-7(2)8(6-10)5-9-11-3-4-12-9;/h3-4,7-8H,5-6,10H2,1-2H3;1H/t8-;/m0./s1
InChIKeyHFMUJZVDDKFKTD-QRPNPIFTSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide?
The IUPAC name of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide (CID 161142137) is (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide.
What is the SMILES notation for (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide?
The canonical SMILES for (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide is Br.CC(C)[C@H](CN)Cc1nccs1.
What is the InChIKey of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide?
The InChIKey is HFMUJZVDDKFKTD-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H16N2S.BrH/c1-7(2)8(6-10)5-9-11-3-4-12-9;/h3-4,7-8H,5-6,10H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide?
(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide has a molecular weight of 265.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide is sourced from PubChem (CID 161142137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).