2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide

C19H25N3O3S — CID 9419881

IUPAC2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)C[C@H]1SC(CC(=O)NCc2ccccc2)=NC1=O
InChIInChI=1S/C19H25N3O3S/c1-13(2)8-9-20-16(23)10-15-19(25)22-18(26-15)11-17(24)21-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyANYUVPIHIFPLCN-OAHLLOKOSA-N
MW375.49 g/mol
LogP2.29
Rot. Bonds9

About 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide

2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide (PubChem CID 9419881) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide
PubChem CID9419881
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)C[C@H]1SC(CC(=O)NCc2ccccc2)=NC1=O
InChIInChI=1S/C19H25N3O3S/c1-13(2)8-9-20-16(23)10-15-19(25)22-18(26-15)11-17(24)21-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyANYUVPIHIFPLCN-OAHLLOKOSA-N
XLogP2.29
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide (CID 9419881) is 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)C[C@H]1SC(CC(=O)NCc2ccccc2)=NC1=O.
What is the InChIKey of 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is ANYUVPIHIFPLCN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13(2)8-9-20-16(23)10-15-19(25)22-18(26-15)11-17(24)21-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide?
2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 9419881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).