N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide

C18H12N2O4S2 — CID 4844639

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C18H12N2O4S2/c1-20-8-9-25-18(20)19-17(22)11-6-7-13-15(10-11)26(23,24)14-5-3-2-4-12(14)16(13)21/h2-10H,1H3/b19-18+
InChIKeyOBNLPMKPNLNORV-VHEBQXMUSA-N
MW384.44 g/mol
LogP2.20
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide (PubChem CID 4844639) has the molecular formula C18H12N2O4S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide
PubChem CID4844639
Molecular FormulaC18H12N2O4S2
Molecular Weight384.44 g/mol
Exact Mass384.02
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C18H12N2O4S2/c1-20-8-9-25-18(20)19-17(22)11-6-7-13-15(10-11)26(23,24)14-5-3-2-4-12(14)16(13)21/h2-10H,1H3/b19-18+
InChIKeyOBNLPMKPNLNORV-VHEBQXMUSA-N
XLogP2.20
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide 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-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide (CID 4844639) is N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide is Cn1ccs/c1=N/C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide?
The InChIKey is OBNLPMKPNLNORV-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H12N2O4S2/c1-20-8-9-25-18(20)19-17(22)11-6-7-13-15(10-11)26(23,24)14-5-3-2-4-12(14)16(13)21/h2-10H,1H3/b19-18+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide is sourced from PubChem (CID 4844639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).