N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide

C21H28N4O5S — CID 4641952

IUPACN-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC1CN(C(=O)Cc2csc(NC(=O)CN(C(=O)c3ccco3)C(C)C)n2)CC(C)O1
InChIInChI=1S/C21H28N4O5S/c1-13(2)25(20(28)17-6-5-7-29-17)11-18(26)23-21-22-16(12-31-21)8-19(27)24-9-14(3)30-15(4)10-24/h5-7,12-15H,8-11H2,1-4H3,(H,22,23,26)
InChIKeyJWXSBRCZLYWFDV-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.40
Rot. Bonds7

About N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide

N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 4641952) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID4641952
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC NameN-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC1CN(C(=O)Cc2csc(NC(=O)CN(C(=O)c3ccco3)C(C)C)n2)CC(C)O1
InChIInChI=1S/C21H28N4O5S/c1-13(2)25(20(28)17-6-5-7-29-17)11-18(26)23-21-22-16(12-31-21)8-19(27)24-9-14(3)30-15(4)10-24/h5-7,12-15H,8-11H2,1-4H3,(H,22,23,26)
InChIKeyJWXSBRCZLYWFDV-UHFFFAOYSA-N
XLogP2.40
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide
CID 1030095
N-[2-[[4-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 4057253
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41227073
N-[2-[[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylbenzamide
CID 1029838
4-fluoro-N-[2-oxo-2-[[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 1029792
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4183857
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080902
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080904
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide
CID 4124696
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
3,4-dichloro-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030114
2-chloro-N-[2-[[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029847

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide (CID 4641952) is N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide is CC1CN(C(=O)Cc2csc(NC(=O)CN(C(=O)c3ccco3)C(C)C)n2)CC(C)O1.
What is the InChIKey of N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is JWXSBRCZLYWFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-13(2)25(20(28)17-6-5-7-29-17)11-18(26)23-21-22-16(12-31-21)8-19(27)24-9-14(3)30-15(4)10-24/h5-7,12-15H,8-11H2,1-4H3,(H,22,23,26).
What are the key properties of N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?
N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 4641952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).