methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate

C9H11NO3S — CID 123675145

IUPACmethyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1C=C(C)CO
InChIInChI=1S/C9H11NO3S/c1-6(4-11)3-7-8(9(12)13-2)10-5-14-7/h3,5,11H,4H2,1-2H3
InChIKeyZYZBDCVMGFCYPK-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.33
Rot. Bonds3

About methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate

methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate (PubChem CID 123675145) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate
PubChem CID123675145
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1C=C(C)CO
InChIInChI=1S/C9H11NO3S/c1-6(4-11)3-7-8(9(12)13-2)10-5-14-7/h3,5,11H,4H2,1-2H3
InChIKeyZYZBDCVMGFCYPK-UHFFFAOYSA-N
XLogP1.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate (CID 123675145) is methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1C=C(C)CO.
What is the InChIKey of methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZYZBDCVMGFCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6(4-11)3-7-8(9(12)13-2)10-5-14-7/h3,5,11H,4H2,1-2H3.
What are the key properties of methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate has a molecular weight of 213.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-hydroxy-2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 123675145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).