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

C18H11N3O2S — CID 127047993

IUPACN-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESN#Cc1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C18H11N3O2S/c19-9-11-10-24-18(20-11)21-17(22)16-12-5-1-3-7-14(12)23-15-8-4-2-6-13(15)16/h1-8,10,16H,(H,20,21,22)
InChIKeyPWRHYRPHBVYXDN-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.89
Rot. Bonds2

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

N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 127047993) has the molecular formula C18H11N3O2S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
PubChem CID127047993
Molecular FormulaC18H11N3O2S
Molecular Weight333.37 g/mol
Exact Mass333.06
IUPAC NameN-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
SMILESN#Cc1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1
InChIInChI=1S/C18H11N3O2S/c19-9-11-10-24-18(20-11)21-17(22)16-12-5-1-3-7-14(12)23-15-8-4-2-6-13(15)16/h1-8,10,16H,(H,20,21,22)
InChIKeyPWRHYRPHBVYXDN-UHFFFAOYSA-N
XLogP3.89
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
N-(4-propan-2-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 127046038
N-(4-phenyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 996522
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2109092
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 2464070
3-(2-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572246
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2679294
N-(1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 4125492
2-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 807781
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 49778436
N-(4,5-dimethyl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 4166844
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 44423270

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide (CID 127047993) is N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is N#Cc1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1.
What is the InChIKey of N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is PWRHYRPHBVYXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2S/c19-9-11-10-24-18(20-11)21-17(22)16-12-5-1-3-7-14(12)23-15-8-4-2-6-13(15)16/h1-8,10,16H,(H,20,21,22).
What are the key properties of N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide?
N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 127047993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).