4-(4H-chromen-2-yl)-1,2-thiazole

C12H9NOS — CID 91234249

IUPAC4-(4H-chromen-2-yl)-1,2-thiazole
SMILESC1=C(c2cnsc2)Oc2ccccc2C1
InChIInChI=1S/C12H9NOS/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-15-8-10/h1-4,6-8H,5H2
InChIKeyDBDIHFPURJFEON-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.12
Rot. Bonds1

About 4-(4H-chromen-2-yl)-1,2-thiazole

4-(4H-chromen-2-yl)-1,2-thiazole (PubChem CID 91234249) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(4H-chromen-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name4-(4H-chromen-2-yl)-1,2-thiazole
PubChem CID91234249
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name4-(4H-chromen-2-yl)-1,2-thiazole
SMILESC1=C(c2cnsc2)Oc2ccccc2C1
InChIInChI=1S/C12H9NOS/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-15-8-10/h1-4,6-8H,5H2
InChIKeyDBDIHFPURJFEON-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4H-chromene
CID 135086325
2-naphthalen-1-yl-4H-chromene
CID 102038001
2-chloro-4H-chromene
CID 66790877
2-fluoro-4H-chromene
CID 54487048
2-(4H-benzo[g]chromen-2-yl)-4H-benzo[g]chromene
CID 69266903
2-isocyanato-4H-chromene
CID 23371908
9H-xanthene
CID 7107
5-(6-hydroxy-4H-chromen-2-yl)benzene-1,3-diol
CID 69083524
4H-1,3-benzoxathiin-2-one
CID 21485852
2-bromo-1-(4H-chromen-2-yl)ethanone
CID 91619660
7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene
CID 138570323
4H-chromene;methane;nickel
CID 89189143

Frequently Asked Questions

What is the IUPAC name of 4-(4H-chromen-2-yl)-1,2-thiazole?
The IUPAC name of 4-(4H-chromen-2-yl)-1,2-thiazole (CID 91234249) is 4-(4H-chromen-2-yl)-1,2-thiazole.
What is the SMILES notation for 4-(4H-chromen-2-yl)-1,2-thiazole?
The canonical SMILES for 4-(4H-chromen-2-yl)-1,2-thiazole is C1=C(c2cnsc2)Oc2ccccc2C1.
What is the InChIKey of 4-(4H-chromen-2-yl)-1,2-thiazole?
The InChIKey is DBDIHFPURJFEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-15-8-10/h1-4,6-8H,5H2.
What are the key properties of 4-(4H-chromen-2-yl)-1,2-thiazole?
4-(4H-chromen-2-yl)-1,2-thiazole has a molecular weight of 215.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-chromen-2-yl)-1,2-thiazole is sourced from PubChem (CID 91234249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).