N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide

C14H23N3O2S — CID 110359488

IUPACN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCCN(CC)Cc1csc(CNC(=O)C2CCCO2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-17(4-2)9-11-10-20-13(16-11)8-15-14(18)12-6-5-7-19-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyUBTMCKRDAUINEY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.78
Rot. Bonds7

About N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 110359488) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID110359488
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCCN(CC)Cc1csc(CNC(=O)C2CCCO2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-17(4-2)9-11-10-20-13(16-11)8-15-14(18)12-6-5-7-19-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyUBTMCKRDAUINEY-UHFFFAOYSA-N
XLogP1.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110359516
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide
CID 110401668
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
CID 91765036

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide (CID 110359488) is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide is CCN(CC)Cc1csc(CNC(=O)C2CCCO2)n1.
What is the InChIKey of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is UBTMCKRDAUINEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17(4-2)9-11-10-20-13(16-11)8-15-14(18)12-6-5-7-19-12/h10,12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110359488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).