methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 80571068

IUPACmethyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCC2CCCCO2)s1
InChIInChI=1S/C11H16N2O3S/c1-15-10(14)9-7-13-11(17-9)12-6-8-4-2-3-5-16-8/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyGHUNWAKCURHKFU-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.91
Rot. Bonds4

About methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate

methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate (PubChem CID 80571068) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
PubChem CID80571068
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCC2CCCCO2)s1
InChIInChI=1S/C11H16N2O3S/c1-15-10(14)9-7-13-11(17-9)12-6-8-4-2-3-5-16-8/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyGHUNWAKCURHKFU-UHFFFAOYSA-N
XLogP1.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571019
methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571000
5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 102770422
methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571216
methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040089
2-(cyclopentylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641579
methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate
CID 164544883
methyl 2-[2-(3-methylcyclohexyl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571530
methyl 3-amino-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508680
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80572858

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate (CID 80571068) is methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NCC2CCCCO2)s1.
What is the InChIKey of methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is GHUNWAKCURHKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-15-10(14)9-7-13-11(17-9)12-6-8-4-2-3-5-16-8/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).