2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

C14H11N3O2S2 — CID 115527374

IUPAC2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESCc1nccc(-c2nc(-c3ccc(CC(=O)O)s3)cs2)n1
InChIInChI=1S/C14H11N3O2S2/c1-8-15-5-4-10(16-8)14-17-11(7-20-14)12-3-2-9(21-12)6-13(18)19/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyMJRJLAYTNSLSHT-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.26
Rot. Bonds4

About 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (PubChem CID 115527374) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
PubChem CID115527374
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESCc1nccc(-c2nc(-c3ccc(CC(=O)O)s3)cs2)n1
InChIInChI=1S/C14H11N3O2S2/c1-8-15-5-4-10(16-8)14-17-11(7-20-14)12-3-2-9(21-12)6-13(18)19/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyMJRJLAYTNSLSHT-UHFFFAOYSA-N
XLogP3.26
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[2-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 102842084
2-[5-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 83091754
2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 63355603
2-[5-(2-butyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
CID 79404450
2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid
CID 22326476
2-[5-(2-cyclobutyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
CID 64982442
2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
CID 67286373
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 115528201
2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115531309
2-[5-[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 65351314
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
CID 118281567
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (CID 115527374) is 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is Cc1nccc(-c2nc(-c3ccc(CC(=O)O)s3)cs2)n1.
What is the InChIKey of 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The InChIKey is MJRJLAYTNSLSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-8-15-5-4-10(16-8)14-17-11(7-20-14)12-3-2-9(21-12)6-13(18)19/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid has a molecular weight of 317.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 115527374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).