N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide

C19H16N2O2S — CID 4166844

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESCc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C
InChIInChI=1S/C19H16N2O2S/c1-11-12(2)24-19(20-11)21-18(22)17-13-7-3-5-9-15(13)23-16-10-6-4-8-14(16)17/h3-10,17H,1-2H3,(H,20,21,22)
InChIKeyMALULYIDGNXSNH-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.64
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 4166844) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
PubChem CID4166844
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESCc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C
InChIInChI=1S/C19H16N2O2S/c1-11-12(2)24-19(20-11)21-18(22)17-13-7-3-5-9-15(13)23-16-10-6-4-8-14(16)17/h3-10,17H,1-2H3,(H,20,21,22)
InChIKeyMALULYIDGNXSNH-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (CID 4166844) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is MALULYIDGNXSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-11-12(2)24-19(20-11)21-18(22)17-13-7-3-5-9-15(13)23-16-10-6-4-8-14(16)17/h3-10,17H,1-2H3,(H,20,21,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 4166844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).