(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid

C10H13NO2S — CID 165441170

IUPAC(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)c1nc(C)cs1
InChIInChI=1S/C10H13NO2S/c1-4-8(10(12)13)7(3)9-11-6(2)5-14-9/h5H,4H2,1-3H3,(H,12,13)/b8-7-
InChIKeyFEUNQXFJMRTQAG-FPLPWBNLSA-N
MW211.29 g/mol
LogP2.72
Rot. Bonds3

About (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid

(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid (PubChem CID 165441170) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid
PubChem CID165441170
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)c1nc(C)cs1
InChIInChI=1S/C10H13NO2S/c1-4-8(10(12)13)7(3)9-11-6(2)5-14-9/h5H,4H2,1-3H3,(H,12,13)/b8-7-
InChIKeyFEUNQXFJMRTQAG-FPLPWBNLSA-N
XLogP2.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.72
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

1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 20560347
2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride
CID 121225631
2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide
CID 23003355
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 83388796
N-[1-(4-methyl-1,3-thiazol-2-yl)ethylidene]hydroxylamine
CID 137186649
ethyl (Z)-4-chloro-3-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)pent-2-enoate
CID 135600388
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid
CID 66731461
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135436049

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid (CID 165441170) is (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid is CC/C(C(=O)O)=C(\C)c1nc(C)cs1.
What is the InChIKey of (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid?
The InChIKey is FEUNQXFJMRTQAG-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-4-8(10(12)13)7(3)9-11-6(2)5-14-9/h5H,4H2,1-3H3,(H,12,13)/b8-7-.
What are the key properties of (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid?
(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid has a molecular weight of 211.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid is sourced from PubChem (CID 165441170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).