2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole

C9H8BrNOS2 — CID 127008971

IUPAC2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2ccc(Br)o2)n1
InChIInChI=1S/C9H8BrNOS2/c1-6-4-13-9(11-6)14-5-7-2-3-8(10)12-7/h2-4H,5H2,1H3
InChIKeyILRZICPDJDVJOI-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.10
Rot. Bonds3

About 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole

2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole (PubChem CID 127008971) has the molecular formula C9H8BrNOS2 and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
PubChem CID127008971
Molecular FormulaC9H8BrNOS2
Molecular Weight290.21 g/mol
Exact Mass288.92
IUPAC Name2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2ccc(Br)o2)n1
InChIInChI=1S/C9H8BrNOS2/c1-6-4-13-9(11-6)14-5-7-2-3-8(10)12-7/h2-4H,5H2,1H3
InChIKeyILRZICPDJDVJOI-UHFFFAOYSA-N
XLogP4.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
CID 113372559
3-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]aniline
CID 43349846
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 79764244
methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate
CID 78766430
2-[(5-bromo-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 115580564
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
2-bromo-5-(2-chloroethylsulfanylmethyl)furan
CID 131219734
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 134065458
2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47142123
2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 62728609
2-[2-(bromomethyl)-2-propylpentyl]sulfanyl-4-methyl-1,3-thiazole
CID 65005112
5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 31530857

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole (CID 127008971) is 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole is Cc1csc(SCc2ccc(Br)o2)n1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is ILRZICPDJDVJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS2/c1-6-4-13-9(11-6)14-5-7-2-3-8(10)12-7/h2-4H,5H2,1H3.
What are the key properties of 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 290.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 127008971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).