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

C10H14N2O3S — CID 115424307

IUPACmethyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCC2CCOC2)n1
InChIInChI=1S/C10H14N2O3S/c1-14-9(13)8-6-16-10(12-8)11-4-7-2-3-15-5-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeySPIZMAKZRGOYMV-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.38
Rot. Bonds4

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

methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 115424307) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate
PubChem CID115424307
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCC2CCOC2)n1
InChIInChI=1S/C10H14N2O3S/c1-14-9(13)8-6-16-10(12-8)11-4-7-2-3-15-5-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeySPIZMAKZRGOYMV-UHFFFAOYSA-N
XLogP1.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
4-ethyl-N-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
CID 62963555
methyl 2-[(1-methylpiperidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306855
methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
CID 115422170
2-methyl-2-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369967
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 115424823
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 82736702
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103466455
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
methyl 4-chloro-2-(oxan-4-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 62350309

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate (CID 115424307) is methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NCC2CCOC2)n1.
What is the InChIKey of methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is SPIZMAKZRGOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-14-9(13)8-6-16-10(12-8)11-4-7-2-3-15-5-7/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).