(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid

C8H9NO2S — CID 91864729

IUPAC(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid
SMILESC/C(=C\c1csc(C)n1)C(=O)O
InChIInChI=1S/C8H9NO2S/c1-5(8(10)11)3-7-4-12-6(2)9-7/h3-4H,1-2H3,(H,10,11)/b5-3+
InChIKeyUYPBUWRREYTSFP-HWKANZROSA-N
MW183.23 g/mol
LogP1.94
Rot. Bonds2

About (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid

(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid (PubChem CID 91864729) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid
PubChem CID91864729
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid
SMILESC/C(=C\c1csc(C)n1)C(=O)O
InChIInChI=1S/C8H9NO2S/c1-5(8(10)11)3-7-4-12-6(2)9-7/h3-4H,1-2H3,(H,10,11)/b5-3+
InChIKeyUYPBUWRREYTSFP-HWKANZROSA-N
XLogP1.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-2-one
CID 71356711
4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
CID 177461796
(E)-3-(2-fluoro-1,3-thiazol-4-yl)-2-methylprop-2-enoic acid
CID 174347188
(Z)-3-(2-methyl-1,3-thiazol-4-yl)-2-phenylprop-2-enoic acid
CID 43343998
(E,3S)-3-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
CID 11831158
2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
CID 74067620
2-chloro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 57124336
3,5-dihydroxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
CID 85378240
ethyl (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 69362897
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 22244458
4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
CID 79322364
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid (CID 91864729) is (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid is C/C(=C\c1csc(C)n1)C(=O)O.
What is the InChIKey of (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid?
The InChIKey is UYPBUWRREYTSFP-HWKANZROSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-5(8(10)11)3-7-4-12-6(2)9-7/h3-4H,1-2H3,(H,10,11)/b5-3+.
What are the key properties of (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid?
(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid has a molecular weight of 183.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid is sourced from PubChem (CID 91864729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).