N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine

C15H11N3OS — CID 107648848

IUPACN-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2Nc1nncs1
InChIInChI=1S/C15H11N3OS/c1-3-7-12-10(5-1)14(17-15-18-16-9-20-15)11-6-2-4-8-13(11)19-12/h1-9,14H,(H,17,18)
InChIKeyWZPKGSUVGKIYDT-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.85
Rot. Bonds2

About N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine

N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648848) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648848
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC NameN-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2Nc1nncs1
InChIInChI=1S/C15H11N3OS/c1-3-7-12-10(5-1)14(17-15-18-16-9-20-15)11-6-2-4-8-13(11)19-12/h1-9,14H,(H,17,18)
InChIKeyWZPKGSUVGKIYDT-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-(3-hydroxy-9H-xanthen-9-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 143629948
2-[3-(1-aminoethenyl)-9H-xanthen-9-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 89300528
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 107648886
N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
CID 146018624
benzyl-[(9S)-9-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-9H-xanthen-3-yl]carbamic acid
CID 91398044
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648920
N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine
CID 82720579
N-propan-2-yl-9H-xanthen-9-amine
CID 43344196
N-[4-methoxy-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
CID 12535327
N-(1,3,4-thiadiazol-2-yl)-2-[3-(1,3-thiazol-2-ylcarbamoylamino)-9H-xanthen-9-yl]acetamide
CID 143629878
(2S,3S)-2-methyl-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29370840
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103

Frequently Asked Questions

What is the IUPAC name of N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine (CID 107648848) is N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine is c1ccc2c(c1)Oc1ccccc1C2Nc1nncs1.
What is the InChIKey of N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WZPKGSUVGKIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-3-7-12-10(5-1)14(17-15-18-16-9-20-15)11-6-2-4-8-13(11)19-12/h1-9,14H,(H,17,18).
What are the key properties of N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine?
N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).