3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine

C18H12N2OS — CID 951201

IUPAC3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12N2OS/c19-17-14(10-13-8-4-5-9-16(13)21-17)18-20-15(11-22-18)12-6-2-1-3-7-12/h1-11,19H/b19-17-
InChIKeyZSKCVLRZLOTPNS-ZPHPHTNESA-N
MW304.37 g/mol
LogP4.70
Rot. Bonds2

About 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine

3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine (PubChem CID 951201) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine.

Molecular Properties

Compound Name3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine
PubChem CID951201
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12N2OS/c19-17-14(10-13-8-4-5-9-16(13)21-17)18-20-15(11-22-18)12-6-2-1-3-7-12/h1-11,19H/b19-17-
InChIKeyZSKCVLRZLOTPNS-ZPHPHTNESA-N
XLogP4.70
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine?
The IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine (CID 951201) is 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine.
What is the SMILES notation for 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine?
The canonical SMILES for 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine is [H]/N=c1\oc2ccccc2cc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine?
The InChIKey is ZSKCVLRZLOTPNS-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H12N2OS/c19-17-14(10-13-8-4-5-9-16(13)21-17)18-20-15(11-22-18)12-6-2-1-3-7-12/h1-11,19H/b19-17-.
What are the key properties of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine?
3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine has a molecular weight of 304.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine is sourced from PubChem (CID 951201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).