2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C10H8ClNO3S2 — CID 114360752

IUPAC2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2cc(Cl)cs2)sc1C(=O)O
InChIInChI=1S/C10H8ClNO3S2/c1-15-3-6-8(10(13)14)17-9(12-6)7-2-5(11)4-16-7/h2,4H,3H2,1H3,(H,13,14)
InChIKeyWUCKTGYMBVKFMX-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360752) has the molecular formula C10H8ClNO3S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360752
Molecular FormulaC10H8ClNO3S2
Molecular Weight289.77 g/mol
Exact Mass288.96
IUPAC Name2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2cc(Cl)cs2)sc1C(=O)O
InChIInChI=1S/C10H8ClNO3S2/c1-15-3-6-8(10(13)14)17-9(12-6)7-2-5(11)4-16-7/h2,4H,3H2,1H3,(H,13,14)
InChIKeyWUCKTGYMBVKFMX-UHFFFAOYSA-N
XLogP3.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360066
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114359943
4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920327
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955
2-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360789
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
2-(2-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359912
2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 106886087
2-isoquinolin-1-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359989
2-isoquinolin-4-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360810

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114360752) is 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(-c2cc(Cl)cs2)sc1C(=O)O.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WUCKTGYMBVKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S2/c1-15-3-6-8(10(13)14)17-9(12-6)7-2-5(11)4-16-7/h2,4H,3H2,1H3,(H,13,14).
What are the key properties of 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 289.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).