propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate

C8H11NO3S — CID 141213625

IUPACpropan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate
SMILESCC(C)OC(=O)c1cnc(CO)s1
InChIInChI=1S/C8H11NO3S/c1-5(2)12-8(11)6-3-9-7(4-10)13-6/h3,5,10H,4H2,1-2H3
InChIKeySYORVMYGKSWLHE-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.20
Rot. Bonds3

About propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate

propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate (PubChem CID 141213625) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate
PubChem CID141213625
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Namepropan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate
SMILESCC(C)OC(=O)c1cnc(CO)s1
InChIInChI=1S/C8H11NO3S/c1-5(2)12-8(11)6-3-9-7(4-10)13-6/h3,5,10H,4H2,1-2H3
InChIKeySYORVMYGKSWLHE-UHFFFAOYSA-N
XLogP1.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-bromothiazole-5-carboxylate
CID 3614103
Ethyl thiazole-5-carboxylate
CID 459108
Methyl 1,3-thiazole-5-carboxylate
CID 331117
Ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 19017727
Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 15171126
2-(Methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 19885554
Methyl 2-methyl-1,3-thiazole-5-carboxylate
CID 21427465
2-(Hydroxymethyl)-1,3-thiazole-5-carboxylic acid
CID 22025292
tert-Butyl 2-chloro-1,3-thiazole-5-carboxylate
CID 24229786
2-(Oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 64981658
2-(Ethoxycarbonyl)-1,3-thiazole-5-carboxylic acid
CID 66714979

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate (CID 141213625) is propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate is CC(C)OC(=O)c1cnc(CO)s1.
What is the InChIKey of propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is SYORVMYGKSWLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-5(2)12-8(11)6-3-9-7(4-10)13-6/h3,5,10H,4H2,1-2H3.
What are the key properties of propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 201.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(hydroxymethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 141213625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).