(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride

C7H12BrClN2S — CID 51039708

IUPAC(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)[C@H](N)c1nc(Br)cs1.Cl
InChIInChI=1S/C7H11BrN2S.ClH/c1-4(2)6(9)7-10-5(8)3-11-7;/h3-4,6H,9H2,1-2H3;1H/t6-;/m0./s1
InChIKeyQZBGCADVVHLTTE-RGMNGODLSA-N
MW271.61 g/mol
LogP2.98
Rot. Bonds2

About (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride

(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 51039708) has the molecular formula C7H12BrClN2S and a molecular weight of 271.61 g/mol. Its IUPAC name is (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
PubChem CID51039708
Molecular FormulaC7H12BrClN2S
Molecular Weight271.61 g/mol
Exact Mass269.96
IUPAC Name(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)[C@H](N)c1nc(Br)cs1.Cl
InChIInChI=1S/C7H11BrN2S.ClH/c1-4(2)6(9)7-10-5(8)3-11-7;/h3-4,6H,9H2,1-2H3;1H/t6-;/m0./s1
InChIKeyQZBGCADVVHLTTE-RGMNGODLSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 82967723
1-(4-bromo-1,3-thiazol-2-yl)ethyl formate
CID 174800577
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
CID 101486525
4-bromo-2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazole
CID 71472970
2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
CID 114684436
1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 114082841
(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 44630590
1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338213
2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanal
CID 162764131
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834
(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 114684275

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride (CID 51039708) is (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride is CC(C)[C@H](N)c1nc(Br)cs1.Cl.
What is the InChIKey of (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is QZBGCADVVHLTTE-RGMNGODLSA-N. The full InChI is InChI=1S/C7H11BrN2S.ClH/c1-4(2)6(9)7-10-5(8)3-11-7;/h3-4,6H,9H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride?
(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 271.61 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 51039708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).