2-(2H-isoindol-1-yl)-1,3-thiazole

C11H8N2S — CID 142631117

IUPAC2-(2H-isoindol-1-yl)-1,3-thiazole
SMILESc1ccc2c(-c3nccs3)[nH]cc2c1
InChIInChI=1S/C11H8N2S/c1-2-4-9-8(3-1)7-13-10(9)11-12-5-6-14-11/h1-7,13H
InChIKeyNRKOJPLITWKNIZ-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 2-(2H-isoindol-1-yl)-1,3-thiazole

2-(2H-isoindol-1-yl)-1,3-thiazole (PubChem CID 142631117) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-(2H-isoindol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2H-isoindol-1-yl)-1,3-thiazole
PubChem CID142631117
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-(2H-isoindol-1-yl)-1,3-thiazole
SMILESc1ccc2c(-c3nccs3)[nH]cc2c1
InChIInChI=1S/C11H8N2S/c1-2-4-9-8(3-1)7-13-10(9)11-12-5-6-14-11/h1-7,13H
InChIKeyNRKOJPLITWKNIZ-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole
CID 57226525
2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 10582938
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole
CID 174768764
2-(3-methylnaphthalen-2-yl)-1,3-thiazole
CID 144827161
2-[2-(1H-pyrazol-5-yl)-1H-indol-3-yl]-1,3-thiazole
CID 137228711
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 141214750
[1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 101384021
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 20555356
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
CID 166273321

Frequently Asked Questions

What is the IUPAC name of 2-(2H-isoindol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(2H-isoindol-1-yl)-1,3-thiazole (CID 142631117) is 2-(2H-isoindol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2H-isoindol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(2H-isoindol-1-yl)-1,3-thiazole is c1ccc2c(-c3nccs3)[nH]cc2c1.
What is the InChIKey of 2-(2H-isoindol-1-yl)-1,3-thiazole?
The InChIKey is NRKOJPLITWKNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-4-9-8(3-1)7-13-10(9)11-12-5-6-14-11/h1-7,13H.
What are the key properties of 2-(2H-isoindol-1-yl)-1,3-thiazole?
2-(2H-isoindol-1-yl)-1,3-thiazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-isoindol-1-yl)-1,3-thiazole is sourced from PubChem (CID 142631117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).