N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide

C18H20N4O5S — CID 170599675

IUPACN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)N[C@H](C(N)=O)[C@@H](C)O)c(C)oc2cn1
InChIInChI=1S/C18H20N4O5S/c1-8-13(28-7-21-8)6-26-14-4-11-12(5-20-14)27-10(3)15(11)18(25)22-16(9(2)23)17(19)24/h4-5,7,9,16,23H,6H2,1-3H3,(H2,19,24)(H,22,25)/t9-,16+/m1/s1
InChIKeyRDBVXLUTJRKGFI-ABKXIKBNSA-N
MW404.45 g/mol
LogP1.44
Rot. Bonds7

About N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide

N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170599675) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide
PubChem CID170599675
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC NameN-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)N[C@H](C(N)=O)[C@@H](C)O)c(C)oc2cn1
InChIInChI=1S/C18H20N4O5S/c1-8-13(28-7-21-8)6-26-14-4-11-12(5-20-14)27-10(3)15(11)18(25)22-16(9(2)23)17(19)24/h4-5,7,9,16,23H,6H2,1-3H3,(H2,19,24)(H,22,25)/t9-,16+/m1/s1
InChIKeyRDBVXLUTJRKGFI-ABKXIKBNSA-N
XLogP1.44
TPSA140.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide (CID 170599675) is N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide is Cc1ncsc1COc1cc2c(C(=O)N[C@H](C(N)=O)[C@@H](C)O)c(C)oc2cn1.
What is the InChIKey of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is RDBVXLUTJRKGFI-ABKXIKBNSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-8-13(28-7-21-8)6-26-14-4-11-12(5-20-14)27-10(3)15(11)18(25)22-16(9(2)23)17(19)24/h4-5,7,9,16,23H,6H2,1-3H3,(H2,19,24)(H,22,25)/t9-,16+/m1/s1.
What are the key properties of N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170599675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).