3-(1,3-thiazol-2-yl)chromen-2-imine

C12H8N2OS — CID 134891969

IUPAC3-(1,3-thiazol-2-yl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1nccs1
InChIInChI=1S/C12H8N2OS/c13-11-9(12-14-5-6-16-12)7-8-3-1-2-4-10(8)15-11/h1-7,13H/b13-11-
InChIKeyHVIQSUQPKXPBSF-QBFSEMIESA-N
MW228.28 g/mol
LogP3.04
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)chromen-2-imine

3-(1,3-thiazol-2-yl)chromen-2-imine (PubChem CID 134891969) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)chromen-2-imine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)chromen-2-imine
PubChem CID134891969
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name3-(1,3-thiazol-2-yl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1nccs1
InChIInChI=1S/C12H8N2OS/c13-11-9(12-14-5-6-16-12)7-8-3-1-2-4-10(8)15-11/h1-7,13H/b13-11-
InChIKeyHVIQSUQPKXPBSF-QBFSEMIESA-N
XLogP3.04
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)chromen-2-imine?
The IUPAC name of 3-(1,3-thiazol-2-yl)chromen-2-imine (CID 134891969) is 3-(1,3-thiazol-2-yl)chromen-2-imine.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)chromen-2-imine?
The canonical SMILES for 3-(1,3-thiazol-2-yl)chromen-2-imine is [H]/N=c1\oc2ccccc2cc1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)chromen-2-imine?
The InChIKey is HVIQSUQPKXPBSF-QBFSEMIESA-N. The full InChI is InChI=1S/C12H8N2OS/c13-11-9(12-14-5-6-16-12)7-8-3-1-2-4-10(8)15-11/h1-7,13H/b13-11-.
What are the key properties of 3-(1,3-thiazol-2-yl)chromen-2-imine?
3-(1,3-thiazol-2-yl)chromen-2-imine has a molecular weight of 228.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)chromen-2-imine is sourced from PubChem (CID 134891969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).