2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole

C9H8BrNOS2 — CID 167839205

IUPAC2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2cscc2Br)n1
InChIInChI=1S/C9H8BrNOS2/c1-12-2-6-3-14-9(11-6)7-4-13-5-8(7)10/h3-5H,2H2,1H3
InChIKeyHXIHRNWODKVMNL-UHFFFAOYSA-N
MW290.21 g/mol
LogP3.78
Rot. Bonds3

About 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole

2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 167839205) has the molecular formula C9H8BrNOS2 and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID167839205
Molecular FormulaC9H8BrNOS2
Molecular Weight290.21 g/mol
Exact Mass288.92
IUPAC Name2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2cscc2Br)n1
InChIInChI=1S/C9H8BrNOS2/c1-12-2-6-3-14-9(11-6)7-4-13-5-8(7)10/h3-5H,2H2,1H3
InChIKeyHXIHRNWODKVMNL-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-3-yl)-4-(chloromethyl)-1,3-thiazole
CID 130157549
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
2-(3-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512025
2-(3-chloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511905
4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512046
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]propan-2-ol
CID 146570950

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole (CID 167839205) is 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(-c2cscc2Br)n1.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is HXIHRNWODKVMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS2/c1-12-2-6-3-14-9(11-6)7-4-13-5-8(7)10/h3-5H,2H2,1H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole?
2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 290.21 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 167839205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).