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

C20H15N3O3S — CID 1075907

IUPACN-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1
InChIInChI=1S/C20H15N3O3S/c1-12(24)21-14-6-8-15(9-7-14)22-20-23-17(11-27-20)16-10-13-4-2-3-5-18(13)26-19(16)25/h2-11H,1H3,(H,21,24)(H,22,23)
InChIKeyWHAYSEJQRJMTMG-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.62
Rot. Bonds4

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

N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 1075907) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID1075907
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1
InChIInChI=1S/C20H15N3O3S/c1-12(24)21-14-6-8-15(9-7-14)22-20-23-17(11-27-20)16-10-13-4-2-3-5-18(13)26-19(16)25/h2-11H,1H3,(H,21,24)(H,22,23)
InChIKeyWHAYSEJQRJMTMG-UHFFFAOYSA-N
XLogP4.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 1075907) is N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1.
What is the InChIKey of N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is WHAYSEJQRJMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12(24)21-14-6-8-15(9-7-14)22-20-23-17(11-27-20)16-10-13-4-2-3-5-18(13)26-19(16)25/h2-11H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 377.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1075907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).