N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C21H21N3O4S — CID 36921756

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2csc(-c3ccco3)n2)C[C@H](C)O1
InChIInChI=1S/C21H21N3O4S/c1-13-10-24(11-14(2)28-13)21(26)15-6-3-4-7-16(15)22-19(25)17-12-29-20(23-17)18-8-5-9-27-18/h3-9,12-14H,10-11H2,1-2H3,(H,22,25)/t13-,14+
InChIKeyXEWSZSJXNORGJC-OKILXGFUSA-N
MW411.48 g/mol
LogP3.90
Rot. Bonds4

About N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 36921756) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID36921756
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2csc(-c3ccco3)n2)C[C@H](C)O1
InChIInChI=1S/C21H21N3O4S/c1-13-10-24(11-14(2)28-13)21(26)15-6-3-4-7-16(15)22-19(25)17-12-29-20(23-17)18-8-5-9-27-18/h3-9,12-14H,10-11H2,1-2H3,(H,22,25)/t13-,14+
InChIKeyXEWSZSJXNORGJC-OKILXGFUSA-N
XLogP3.90
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
N-(2-cyclopentyloxyphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52656400
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52655029
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36817379
2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621704
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 32869605
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 42944717

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 36921756) is N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2csc(-c3ccco3)n2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XEWSZSJXNORGJC-OKILXGFUSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-13-10-24(11-14(2)28-13)21(26)15-6-3-4-7-16(15)22-19(25)17-12-29-20(23-17)18-8-5-9-27-18/h3-9,12-14H,10-11H2,1-2H3,(H,22,25)/t13-,14+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36921756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).