N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

C14H9ClN2O3S — CID 748815

IUPACN-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1
InChIInChI=1S/C14H9ClN2O3S/c1-7(18)16-14-17-11(6-21-14)10-5-8-4-9(15)2-3-12(8)20-13(10)19/h2-6H,1H3,(H,16,17,18)
InChIKeyRTDTYCJFNIHWOS-UHFFFAOYSA-N
MW320.76 g/mol
LogP3.53
Rot. Bonds2

About N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 748815) has the molecular formula C14H9ClN2O3S and a molecular weight of 320.76 g/mol. Its IUPAC name is N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID748815
Molecular FormulaC14H9ClN2O3S
Molecular Weight320.76 g/mol
Exact Mass320.00
IUPAC NameN-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1
InChIInChI=1S/C14H9ClN2O3S/c1-7(18)16-14-17-11(6-21-14)10-5-8-4-9(15)2-3-12(8)20-13(10)19/h2-6H,1H3,(H,16,17,18)
InChIKeyRTDTYCJFNIHWOS-UHFFFAOYSA-N
XLogP3.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (CID 748815) is N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1.
What is the InChIKey of N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RTDTYCJFNIHWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3S/c1-7(18)16-14-17-11(6-21-14)10-5-8-4-9(15)2-3-12(8)20-13(10)19/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 320.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).