N-(1,3-thiazol-2-yl)xanthen-9-imine

C16H10N2OS — CID 56696208

IUPACN-(1,3-thiazol-2-yl)xanthen-9-imine
SMILESc1ccc2c(=Nc3nccs3)c3ccccc3oc2c1
InChIInChI=1S/C16H10N2OS/c1-3-7-13-11(5-1)15(18-16-17-9-10-20-16)12-6-2-4-8-14(12)19-13/h1-10H
InChIKeyNYENLRSVVAHFTF-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.27
Rot. Bonds1

About N-(1,3-thiazol-2-yl)xanthen-9-imine

N-(1,3-thiazol-2-yl)xanthen-9-imine (PubChem CID 56696208) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)xanthen-9-imine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)xanthen-9-imine
PubChem CID56696208
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC NameN-(1,3-thiazol-2-yl)xanthen-9-imine
SMILESc1ccc2c(=Nc3nccs3)c3ccccc3oc2c1
InChIInChI=1S/C16H10N2OS/c1-3-7-13-11(5-1)15(18-16-17-9-10-20-16)12-6-2-4-8-14(12)19-13/h1-10H
InChIKeyNYENLRSVVAHFTF-UHFFFAOYSA-N
XLogP4.27
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(E)-1,3-thiazol-2-yliminomethyl]chromen-2-one
CID 11520484
(Z)-3-hexyl-N-(1,3-thiazol-2-yl)isochromen-1-imine
CID 177435599
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine
CID 3537440
N-chromeno[2,3-c]pyridin-5-ylidenehydroxylamine
CID 137205389
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
(1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one
CID 137091128
2-dibenzofuran-1-yl-1,3-oxazole
CID 150093107
CID 88536732
CID 88536732
2-(sulfinylamino)-1,3-thiazole
CID 15208333

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)xanthen-9-imine?
The IUPAC name of N-(1,3-thiazol-2-yl)xanthen-9-imine (CID 56696208) is N-(1,3-thiazol-2-yl)xanthen-9-imine.
What is the SMILES notation for N-(1,3-thiazol-2-yl)xanthen-9-imine?
The canonical SMILES for N-(1,3-thiazol-2-yl)xanthen-9-imine is c1ccc2c(=Nc3nccs3)c3ccccc3oc2c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)xanthen-9-imine?
The InChIKey is NYENLRSVVAHFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c1-3-7-13-11(5-1)15(18-16-17-9-10-20-16)12-6-2-4-8-14(12)19-13/h1-10H.
What are the key properties of N-(1,3-thiazol-2-yl)xanthen-9-imine?
N-(1,3-thiazol-2-yl)xanthen-9-imine has a molecular weight of 278.34 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)xanthen-9-imine is sourced from PubChem (CID 56696208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).