2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

C17H21N3O4S — CID 119042005

IUPAC2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC(C)C2CCOC2)cs1
InChIInChI=1S/C17H21N3O4S/c1-10(12-3-5-23-8-12)18-15(21)7-13-9-25-17(19-13)20-16(22)14-4-6-24-11(14)2/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyJUFWGUSBVWKNPK-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.38
Rot. Bonds6

About 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 119042005) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID119042005
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)NC(C)C2CCOC2)cs1
InChIInChI=1S/C17H21N3O4S/c1-10(12-3-5-23-8-12)18-15(21)7-13-9-25-17(19-13)20-16(22)14-4-6-24-11(14)2/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyJUFWGUSBVWKNPK-UHFFFAOYSA-N
XLogP2.38
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[4-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47045235
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119603182
2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067280
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955538
2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119536067
N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119599066
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117
N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761426
N-[4-[2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955751
N-[4-[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 95786320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 119042005) is 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)NC(C)C2CCOC2)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is JUFWGUSBVWKNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10(12-3-5-23-8-12)18-15(21)7-13-9-25-17(19-13)20-16(22)14-4-6-24-11(14)2/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 119042005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).