(2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide

C13H20N2O3S — CID 126429463

IUPAC(2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)[C@]2(C)CCCO2)s1
InChIInChI=1S/C13H20N2O3S/c1-9-10(19-11(15-9)8-17-3)7-14-12(16)13(2)5-4-6-18-13/h4-8H2,1-3H3,(H,14,16)/t13-/m0/s1
InChIKeyMMIWQOCXDDKUCN-ZDUSSCGKSA-N
MW284.38 g/mol
LogP1.78
Rot. Bonds5

About (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide

(2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide (PubChem CID 126429463) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide
PubChem CID126429463
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)[C@]2(C)CCCO2)s1
InChIInChI=1S/C13H20N2O3S/c1-9-10(19-11(15-9)8-17-3)7-14-12(16)13(2)5-4-6-18-13/h4-8H2,1-3H3,(H,14,16)/t13-/m0/s1
InChIKeyMMIWQOCXDDKUCN-ZDUSSCGKSA-N
XLogP1.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide (CID 126429463) is (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide is COCc1nc(C)c(CNC(=O)[C@]2(C)CCCO2)s1.
What is the InChIKey of (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide?
The InChIKey is MMIWQOCXDDKUCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-10(19-11(15-9)8-17-3)7-14-12(16)13(2)5-4-6-18-13/h4-8H2,1-3H3,(H,14,16)/t13-/m0/s1.
What are the key properties of (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide?
(2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 126429463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).