methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate

C10H13NO3S — CID 103985943

IUPACmethyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CC2CCOC2)n1
InChIInChI=1S/C10H13NO3S/c1-13-10(12)8-6-15-9(11-8)4-7-2-3-14-5-7/h6-7H,2-5H2,1H3
InChIKeyDTZOETQCBGOKQT-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.51
Rot. Bonds3

About methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate

methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate (PubChem CID 103985943) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
PubChem CID103985943
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(CC2CCOC2)n1
InChIInChI=1S/C10H13NO3S/c1-13-10(12)8-6-15-9(11-8)4-7-2-3-14-5-7/h6-7H,2-5H2,1H3
InChIKeyDTZOETQCBGOKQT-UHFFFAOYSA-N
XLogP1.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424307
methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
CID 115422170
methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
5-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 113361992
4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 103988069
methyl 2-(cyclopentylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422556
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115087995
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 103988046

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate (CID 103985943) is methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(CC2CCOC2)n1.
What is the InChIKey of methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DTZOETQCBGOKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-13-10(12)8-6-15-9(11-8)4-7-2-3-14-5-7/h6-7H,2-5H2,1H3.
What are the key properties of methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate?
methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103985943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).