N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide

C21H21N3O4S — CID 93305928

IUPACN-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccco1
InChIInChI=1S/C21H21N3O4S/c25-19(22-13-16-6-3-10-27-16)17-7-2-1-5-15(17)14-24-9-12-29-21(24)23-20(26)18-8-4-11-28-18/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2,(H,22,25)/b23-21-/t16-/m1/s1
InChIKeyXTLIURAYPORZRE-DLTPIXJPSA-N
MW411.48 g/mol
LogP2.84
Rot. Bonds6

About N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide

N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide (PubChem CID 93305928) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide
PubChem CID93305928
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccco1
InChIInChI=1S/C21H21N3O4S/c25-19(22-13-16-6-3-10-27-16)17-7-2-1-5-15(17)14-24-9-12-29-21(24)23-20(26)18-8-4-11-28-18/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2,(H,22,25)/b23-21-/t16-/m1/s1
InChIKeyXTLIURAYPORZRE-DLTPIXJPSA-N
XLogP2.84
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93305874
N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide
CID 51067395
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718292
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 991444
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 110121715
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24624909
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide (CID 93305928) is N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide is O=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccco1.
What is the InChIKey of N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The InChIKey is XTLIURAYPORZRE-DLTPIXJPSA-N. The full InChI is InChI=1S/C21H21N3O4S/c25-19(22-13-16-6-3-10-27-16)17-7-2-1-5-15(17)14-24-9-12-29-21(24)23-20(26)18-8-4-11-28-18/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2,(H,22,25)/b23-21-/t16-/m1/s1.
What are the key properties of N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide?
N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 93305928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).