N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide

C18H12N2O4S2 — CID 4788166

IUPACN-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1
InChIInChI=1S/C18H12N2O4S2/c1-10-9-19-18(25-10)20-17(22)11-6-7-13-15(8-11)26(23,24)14-5-3-2-4-12(14)16(13)21/h2-9H,1H3,(H,19,20,22)
InChIKeyGIGDVAPFEALZEE-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.08
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide (PubChem CID 4788166) has the molecular formula C18H12N2O4S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
PubChem CID4788166
Molecular FormulaC18H12N2O4S2
Molecular Weight384.44 g/mol
Exact Mass384.02
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1
InChIInChI=1S/C18H12N2O4S2/c1-10-9-19-18(25-10)20-17(22)11-6-7-13-15(8-11)26(23,24)14-5-3-2-4-12(14)16(13)21/h2-9H,1H3,(H,19,20,22)
InChIKeyGIGDVAPFEALZEE-UHFFFAOYSA-N
XLogP3.08
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10291556
N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 73669508
N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
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4-benzoyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
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2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-2H-1lambda6,3-benzothiazine-3-carboxamide
CID 141743319
4-Methyl-N-(5-(3-(trifluoromethyl)benzyl)-1,3-thiazol-2-YL)benzamide
CID 1113644
4-methyl-3-(piperidin-1-ylsulfonyl)-N-1,3-thiazol-2-ylbenzamide
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CID 2673038
N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 3616684
3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-(5-methyl-2-thiazolyl)benzamide
CID 4840693
N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-4-methylbenzamide
CID 741561

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide (CID 4788166) is N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide is Cc1cnc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
The InChIKey is GIGDVAPFEALZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4S2/c1-10-9-19-18(25-10)20-17(22)11-6-7-13-15(8-11)26(23,24)14-5-3-2-4-12(14)16(13)21/h2-9H,1H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide is sourced from PubChem (CID 4788166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).