5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine

C8H6BrN3S2 — CID 103519175

IUPAC5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1cncc(Br)c1Sc1nccs1
InChIInChI=1S/C8H6BrN3S2/c9-5-3-11-4-6(10)7(5)14-8-12-1-2-13-8/h1-4H,10H2
InChIKeyHVVLRNKLMHIGNY-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.03
Rot. Bonds2

About 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine

5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine (PubChem CID 103519175) has the molecular formula C8H6BrN3S2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
PubChem CID103519175
Molecular FormulaC8H6BrN3S2
Molecular Weight288.19 g/mol
Exact Mass286.92
IUPAC Name5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1cncc(Br)c1Sc1nccs1
InChIInChI=1S/C8H6BrN3S2/c9-5-3-11-4-6(10)7(5)14-8-12-1-2-13-8/h1-4H,10H2
InChIKeyHVVLRNKLMHIGNY-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-pyridin-2-ylsulfanylpyridin-3-amine
CID 103519134
2-[(3-amino-5-bromo-4-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 103519154
5-bromo-4-(4-bromophenyl)sulfanylpyridin-3-amine
CID 103519159
5-bromo-4-(4-methylphenyl)sulfanylpyridin-3-amine
CID 103519123
5-bromo-4-(3,4-dichlorophenyl)sulfanylpyridin-3-amine
CID 103519211
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 114870877
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 61375697
3-bromo-8-(1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
CID 106949975
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 103519131
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518122
2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798231
6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
CID 115474613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine (CID 103519175) is 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine is Nc1cncc(Br)c1Sc1nccs1.
What is the InChIKey of 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
The InChIKey is HVVLRNKLMHIGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S2/c9-5-3-11-4-6(10)7(5)14-8-12-1-2-13-8/h1-4H,10H2.
What are the key properties of 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine has a molecular weight of 288.19 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 103519175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).