5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H18BrN3O4S — CID 99810259

IUPAC5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESC[C@@H]1COC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C16H18BrN3O4S/c1-9-6-23-7-10(2)20(9)14(21)5-11-8-25-16(18-11)19-15(22)12-3-4-13(17)24-12/h3-4,8-10H,5-7H2,1-2H3,(H,18,19,22)/t9-,10+
InChIKeyRLSBMCKAFAYHTD-AOOOYVTPSA-N
MW428.31 g/mol
LogP2.93
Rot. Bonds4

About 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 99810259) has the molecular formula C16H18BrN3O4S and a molecular weight of 428.31 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID99810259
Molecular FormulaC16H18BrN3O4S
Molecular Weight428.31 g/mol
Exact Mass427.02
IUPAC Name5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESC[C@@H]1COC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C16H18BrN3O4S/c1-9-6-23-7-10(2)20(9)14(21)5-11-8-25-16(18-11)19-15(22)12-3-4-13(17)24-12/h3-4,8-10H,5-7H2,1-2H3,(H,18,19,22)/t9-,10+
InChIKeyRLSBMCKAFAYHTD-AOOOYVTPSA-N
XLogP2.93
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[4-[2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 99810261
5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78886276
5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30189317
5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78887055
N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 78886354
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78887642
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41227073
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide
CID 79094737
5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 99810259) is 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is C[C@@H]1COC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is RLSBMCKAFAYHTD-AOOOYVTPSA-N. The full InChI is InChI=1S/C16H18BrN3O4S/c1-9-6-23-7-10(2)20(9)14(21)5-11-8-25-16(18-11)19-15(22)12-3-4-13(17)24-12/h3-4,8-10H,5-7H2,1-2H3,(H,18,19,22)/t9-,10+.
What are the key properties of 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 428.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 99810259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).