N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

C20H13FN2O3S — CID 3333553

IUPACN-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C20H13FN2O3S/c1-12(24)23(15-8-6-14(21)7-9-15)20-22-17(11-27-20)16-10-13-4-2-3-5-18(13)26-19(16)25/h2-11H,1H3
InChIKeyRSJJMFLEOKYRGI-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.74
Rot. Bonds3

About N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3333553) has the molecular formula C20H13FN2O3S and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID3333553
Molecular FormulaC20H13FN2O3S
Molecular Weight380.40 g/mol
Exact Mass380.06
IUPAC NameN-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C20H13FN2O3S/c1-12(24)23(15-8-6-14(21)7-9-15)20-22-17(11-27-20)16-10-13-4-2-3-5-18(13)26-19(16)25/h2-11H,1H3
InChIKeyRSJJMFLEOKYRGI-UHFFFAOYSA-N
XLogP4.74
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (CID 3333553) is N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RSJJMFLEOKYRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3S/c1-12(24)23(15-8-6-14(21)7-9-15)20-22-17(11-27-20)16-10-13-4-2-3-5-18(13)26-19(16)25/h2-11H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3333553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).