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

C22H19FN4O3S2 — CID 16600594

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)n2)s1
InChIInChI=1S/C22H19FN4O3S2/c1-13(28)24-10-16-6-7-19(32-16)17-12-31-22(26-17)27-20(29)8-9-21-25-11-18(30-21)14-2-4-15(23)5-3-14/h2-7,11-12H,8-10H2,1H3,(H,24,28)(H,26,27,29)
InChIKeyHXJOLZPTUGPGFN-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.87
Rot. Bonds8

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

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16600594) has the molecular formula C22H19FN4O3S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16600594
Molecular FormulaC22H19FN4O3S2
Molecular Weight470.55 g/mol
Exact Mass470.09
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)n2)s1
InChIInChI=1S/C22H19FN4O3S2/c1-13(28)24-10-16-6-7-19(32-16)17-12-31-22(26-17)27-20(29)8-9-21-25-11-18(30-21)14-2-4-15(23)5-3-14/h2-7,11-12H,8-10H2,1H3,(H,24,28)(H,26,27,29)
InChIKeyHXJOLZPTUGPGFN-UHFFFAOYSA-N
XLogP4.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.87
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-fluorophenyl)-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-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16600594) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)n2)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is HXJOLZPTUGPGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S2/c1-13(28)24-10-16-6-7-19(32-16)17-12-31-22(26-17)27-20(29)8-9-21-25-11-18(30-21)14-2-4-15(23)5-3-14/h2-7,11-12H,8-10H2,1H3,(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-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 470.55 g/mol, XLogP of 4.87, 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-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16600594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).