N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C23H22N4O3S2 — CID 16600585

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(C)cc4)o3)n2)s1
InChIInChI=1S/C23H22N4O3S2/c1-14-3-5-16(6-4-14)19-12-25-22(30-19)10-9-21(29)27-23-26-18(13-31-23)20-8-7-17(32-20)11-24-15(2)28/h3-8,12-13H,9-11H2,1-2H3,(H,24,28)(H,26,27,29)
InChIKeyVFWFZACGFCWBJZ-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.04
Rot. Bonds8

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16600585) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16600585
Molecular FormulaC23H22N4O3S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(C)cc4)o3)n2)s1
InChIInChI=1S/C23H22N4O3S2/c1-14-3-5-16(6-4-14)19-12-25-22(30-19)10-9-21(29)27-23-26-18(13-31-23)20-8-7-17(32-20)11-24-15(2)28/h3-8,12-13H,9-11H2,1-2H3,(H,24,28)(H,26,27,29)
InChIKeyVFWFZACGFCWBJZ-UHFFFAOYSA-N
XLogP5.04
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 16600585) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(C)cc4)o3)n2)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is VFWFZACGFCWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-14-3-5-16(6-4-14)19-12-25-22(30-19)10-9-21(29)27-23-26-18(13-31-23)20-8-7-17(32-20)11-24-15(2)28/h3-8,12-13H,9-11H2,1-2H3,(H,24,28)(H,26,27,29).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 466.59 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16600585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).