N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide

C14H23N3O2S — CID 66258317

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H23N3O2S/c1-5-15-12-7-19-6-11(12)14(18)17-9(3)13-8(2)16-10(4)20-13/h9,11-12,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyPETNBBCAUCCHDM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.56
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66258317) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66258317
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H23N3O2S/c1-5-15-12-7-19-6-11(12)14(18)17-9(3)13-8(2)16-10(4)20-13/h9,11-12,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyPETNBBCAUCCHDM-UHFFFAOYSA-N
XLogP1.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
4-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399688
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390772
4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212783
N-[(1R)-1-cyclopentylethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 81391586
4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
CID 61193117
N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260046
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
4-(ethylamino)-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66257493
4-(ethylamino)-N-(1-methoxy-3-methylbutan-2-yl)oxolane-3-carboxamide
CID 66258351
2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylbutanamide
CID 113270257

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide (CID 66258317) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is PETNBBCAUCCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-15-12-7-19-6-11(12)14(18)17-9(3)13-8(2)16-10(4)20-13/h9,11-12,15H,5-7H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66258317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).