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

C12H14BrN3S — CID 103714587

IUPACN-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1cncc(Br)c1)c1nccs1
InChIInChI=1S/C12H14BrN3S/c1-12(2,11-15-3-4-17-11)16-7-9-5-10(13)8-14-6-9/h3-6,8,16H,7H2,1-2H3
InChIKeyJZPJQPJQIJKHFI-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.33
Rot. Bonds4

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

N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103714587) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103714587
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1cncc(Br)c1)c1nccs1
InChIInChI=1S/C12H14BrN3S/c1-12(2,11-15-3-4-17-11)16-7-9-5-10(13)8-14-6-9/h3-6,8,16H,7H2,1-2H3
InChIKeyJZPJQPJQIJKHFI-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113471750
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]aniline
CID 114132033
N-[(4-methyl-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103828799
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113258267
1-methyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrrole-2-carbonitrile
CID 103527307
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114130251
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714669
2-N-[(5-bromo-3-pyridinyl)methyl]-1-N-tert-butylpropane-1,2-diamine
CID 113407504
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714667

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (CID 103714587) is N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCc1cncc(Br)c1)c1nccs1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is JZPJQPJQIJKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-12(2,11-15-3-4-17-11)16-7-9-5-10(13)8-14-6-9/h3-6,8,16H,7H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 312.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103714587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).