4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole

C9H6BrClN2S2 — CID 130552736

IUPAC4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole
SMILESClc1nc(CSc2ccc(Br)cn2)cs1
InChIInChI=1S/C9H6BrClN2S2/c10-6-1-2-8(12-3-6)14-4-7-5-15-9(11)13-7/h1-3,5H,4H2
InChIKeyFCYOSMRBVKTJBC-UHFFFAOYSA-N
MW321.65 g/mol
LogP4.25
Rot. Bonds3

About 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole

4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole (PubChem CID 130552736) has the molecular formula C9H6BrClN2S2 and a molecular weight of 321.65 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole
PubChem CID130552736
Molecular FormulaC9H6BrClN2S2
Molecular Weight321.65 g/mol
Exact Mass319.88
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole
SMILESClc1nc(CSc2ccc(Br)cn2)cs1
InChIInChI=1S/C9H6BrClN2S2/c10-6-1-2-8(12-3-6)14-4-7-5-15-9(11)13-7/h1-3,5H,4H2
InChIKeyFCYOSMRBVKTJBC-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole (CID 130552736) is 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole is Clc1nc(CSc2ccc(Br)cn2)cs1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole?
The InChIKey is FCYOSMRBVKTJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S2/c10-6-1-2-8(12-3-6)14-4-7-5-15-9(11)13-7/h1-3,5H,4H2.
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole?
4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole has a molecular weight of 321.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanylmethyl]-2-chloro-1,3-thiazole is sourced from PubChem (CID 130552736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).