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

C9H11NO3S — CID 115422170

IUPACmethyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CCOC2)n1
InChIInChI=1S/C9H11NO3S/c1-12-9(11)7-5-14-8(10-7)6-2-3-13-4-6/h5-6H,2-4H2,1H3
InChIKeyWRLPVHLTNAPVEV-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.43
Rot. Bonds2

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

methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422170) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422170
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CCOC2)n1
InChIInChI=1S/C9H11NO3S/c1-12-9(11)7-5-14-8(10-7)6-2-3-13-4-6/h5-6H,2-4H2,1H3
InChIKeyWRLPVHLTNAPVEV-UHFFFAOYSA-N
XLogP1.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424307
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
4-methoxy-2-(oxan-4-yl)-1,3-thiazole
CID 116891853
N-methyl-1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545521
methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 82736702
methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 115422675
methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
methyl 2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazole-4-carboxylate
CID 115422679
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N-[1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577721

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate (CID 115422170) is methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C2CCOC2)n1.
What is the InChIKey of methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is WRLPVHLTNAPVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-12-9(11)7-5-14-8(10-7)6-2-3-13-4-6/h5-6H,2-4H2,1H3.
What are the key properties of methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 213.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).