(5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine

C9H8BrN3S — CID 130943778

IUPAC(5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine
SMILESNC(c1cncc(Br)c1)c1ccsn1
InChIInChI=1S/C9H8BrN3S/c10-7-3-6(4-12-5-7)9(11)8-1-2-14-13-8/h1-5,9H,11H2
InChIKeyJPCPIYUXBUHNRB-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.35
Rot. Bonds2

About (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine

(5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 130943778) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine
PubChem CID130943778
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name(5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine
SMILESNC(c1cncc(Br)c1)c1ccsn1
InChIInChI=1S/C9H8BrN3S/c10-7-3-6(4-12-5-7)9(11)8-1-2-14-13-8/h1-5,9H,11H2
InChIKeyJPCPIYUXBUHNRB-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(5-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218200
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 43125136
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
(5-bromo-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474213
(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
CID 116544831
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine (CID 130943778) is (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine is NC(c1cncc(Br)c1)c1ccsn1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is JPCPIYUXBUHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c10-7-3-6(4-12-5-7)9(11)8-1-2-14-13-8/h1-5,9H,11H2.
What are the key properties of (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
(5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine has a molecular weight of 270.16 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130943778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).