[(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate

C10H13NO2S — CID 86812908

IUPAC[(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate
SMILESCC/C=C/COC(=O)c1csc(C)n1
InChIInChI=1S/C10H13NO2S/c1-3-4-5-6-13-10(12)9-7-14-8(2)11-9/h4-5,7H,3,6H2,1-2H3/b5-4+
InChIKeyNQSOONNWUOWTAU-SNAWJCMRSA-N
MW211.29 g/mol
LogP2.57
Rot. Bonds4

About [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate

[(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 86812908) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate
PubChem CID86812908
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name[(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate
SMILESCC/C=C/COC(=O)c1csc(C)n1
InChIInChI=1S/C10H13NO2S/c1-3-4-5-6-13-10(12)9-7-14-8(2)11-9/h4-5,7H,3,6H2,1-2H3/b5-4+
InChIKeyNQSOONNWUOWTAU-SNAWJCMRSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
ethanethioamide;ethyl 3-bromo-2-oxopropanoate;ethyl 2-methyl-1,3-thiazole-4-carboxylate;methane
CID 157201999
hexa-2,4-dienyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 110876881
ethyl 2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylate
CID 51310252
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507
ethyl (2Z)-2-hydroxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 12961159
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate (CID 86812908) is [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate is CC/C=C/COC(=O)c1csc(C)n1.
What is the InChIKey of [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is NQSOONNWUOWTAU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-4-5-6-13-10(12)9-7-14-8(2)11-9/h4-5,7H,3,6H2,1-2H3/b5-4+.
What are the key properties of [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate?
[(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86812908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).