(4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide

C16H21N3O5S — CID 147779733

IUPAC(4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
SMILESCCC[C@@H](NC(=O)[C@]1(N)CSC(C(C)=O)=N1)c1cc(OC)cc(=O)o1
InChIInChI=1S/C16H21N3O5S/c1-4-5-11(12-6-10(23-3)7-13(21)24-12)18-15(22)16(17)8-25-14(19-16)9(2)20/h6-7,11H,4-5,8,17H2,1-3H3,(H,18,22)/t11-,16+/m1/s1
InChIKeyHHNZUEWQVBGXOE-BZNIZROVSA-N
MW367.43 g/mol
LogP1.00
Rot. Bonds7

About (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide

(4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide (PubChem CID 147779733) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
PubChem CID147779733
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name(4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide
SMILESCCC[C@@H](NC(=O)[C@]1(N)CSC(C(C)=O)=N1)c1cc(OC)cc(=O)o1
InChIInChI=1S/C16H21N3O5S/c1-4-5-11(12-6-10(23-3)7-13(21)24-12)18-15(22)16(17)8-25-14(19-16)9(2)20/h6-7,11H,4-5,8,17H2,1-3H3,(H,18,22)/t11-,16+/m1/s1
InChIKeyHHNZUEWQVBGXOE-BZNIZROVSA-N
XLogP1.00
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
The IUPAC name of (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide (CID 147779733) is (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
The canonical SMILES for (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide is CCC[C@@H](NC(=O)[C@]1(N)CSC(C(C)=O)=N1)c1cc(OC)cc(=O)o1.
What is the InChIKey of (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
The InChIKey is HHNZUEWQVBGXOE-BZNIZROVSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-4-5-11(12-6-10(23-3)7-13(21)24-12)18-15(22)16(17)8-25-14(19-16)9(2)20/h6-7,11H,4-5,8,17H2,1-3H3,(H,18,22)/t11-,16+/m1/s1.
What are the key properties of (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide?
(4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-acetyl-4-amino-N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-5H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 147779733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).