2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine

C7H11BrN2S — CID 66221314

IUPAC2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1ncc(Br)s1
InChIInChI=1S/C7H11BrN2S/c1-3-7(2,9)6-10-4-5(8)11-6/h4H,3,9H2,1-2H3
InChIKeyDSEUIOFUQFSLDX-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.49
Rot. Bonds2

About 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine

2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 66221314) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine
PubChem CID66221314
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1ncc(Br)s1
InChIInChI=1S/C7H11BrN2S/c1-3-7(2,9)6-10-4-5(8)11-6/h4H,3,9H2,1-2H3
InChIKeyDSEUIOFUQFSLDX-UHFFFAOYSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-Thiazol-2-yl)butan-2-amine
CID 53534946
5-Bromo-2-isobutyl-1,3-thiazole
CID 20696774
5-Bromo-2-tert-butyl-1,3-thiazole
CID 22406970
2-(1,3-Thiazol-2-yl)propan-2-amine
CID 28286203
(1R)-1-(5-bromo-1,3-thiazol-2-yl)ethanamine hydrochloride
CID 68156351
N-[(1S)-1-(5-bromo-1,3-thiazol-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
CID 176422197
N-[(1S)-1-(5-bromo-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 176422198
2-(5-Methyl-1,3-thiazol-2-yl)butan-2-amine
CID 43559051
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 115770120
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3-fluoropropan-1-amine
CID 115894735
2-(5-Bromo-1,3-thiazol-2-yl)-1,1-difluoropropan-2-amine
CID 165677033
3-(5-Bromo-1,3-thiazol-2-yl)-3-fluoropropan-1-amine
CID 165713916

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine (CID 66221314) is 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine is CCC(C)(N)c1ncc(Br)s1.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is DSEUIOFUQFSLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2S/c1-3-7(2,9)6-10-4-5(8)11-6/h4H,3,9H2,1-2H3.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine?
2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 235.15 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 66221314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).