N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

C8H13BrN2S — CID 86691018

IUPACN-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Br)s1
InChIInChI=1S/C8H13BrN2S/c1-6(2)3-10-4-7-5-11-8(9)12-7/h5-6,10H,3-4H2,1-2H3
InChIKeyNZUCFSDGCBOKSV-UHFFFAOYSA-N
MW249.18 g/mol
LogP2.65
Rot. Bonds4

About N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 86691018) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID86691018
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC NameN-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Br)s1
InChIInChI=1S/C8H13BrN2S/c1-6(2)3-10-4-7-5-11-8(9)12-7/h5-6,10H,3-4H2,1-2H3
InChIKeyNZUCFSDGCBOKSV-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66423104
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65138412
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
2-methyl-N-[[2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402711
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
CID 89060823

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 86691018) is N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(Br)s1.
What is the InChIKey of N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is NZUCFSDGCBOKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2S/c1-6(2)3-10-4-7-5-11-8(9)12-7/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 249.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 86691018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).