2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole

C9H7BrN2S2 — CID 114870877

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCc1cc(Sc2nccs2)ncc1Br
InChIInChI=1S/C9H7BrN2S2/c1-6-4-8(12-5-7(6)10)14-9-11-2-3-13-9/h2-5H,1H3
InChIKeyUSFHXGRMYQBVNJ-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.76
Rot. Bonds2

About 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole

2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole (PubChem CID 114870877) has the molecular formula C9H7BrN2S2 and a molecular weight of 287.21 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole
PubChem CID114870877
Molecular FormulaC9H7BrN2S2
Molecular Weight287.21 g/mol
Exact Mass285.92
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCc1cc(Sc2nccs2)ncc1Br
InChIInChI=1S/C9H7BrN2S2/c1-6-4-8(12-5-7(6)10)14-9-11-2-3-13-9/h2-5H,1H3
InChIKeyUSFHXGRMYQBVNJ-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 61375697
5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114870905
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 114870822
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 114870886
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole
CID 83266672
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 62481603
5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 114870827
5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile
CID 63658742
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 79073930
5-bromo-4-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
CID 103519175
2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 18712779
2-pyridin-2-ylsulfanyl-1,3-thiazole
CID 15637338

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole (CID 114870877) is 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole is Cc1cc(Sc2nccs2)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
The InChIKey is USFHXGRMYQBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S2/c1-6-4-8(12-5-7(6)10)14-9-11-2-3-13-9/h2-5H,1H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole has a molecular weight of 287.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 114870877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).