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

C13H7F3N2OS — CID 134867970

IUPAC3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2c(C(F)(F)F)c1-c1nccs1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)10-7-3-1-2-4-8(7)19-11(17)9(10)12-18-5-6-20-12/h1-6,17H/b17-11-
InChIKeyPVUNNKYSXBMCAS-BOPFTXTBSA-N
MW296.27 g/mol
LogP4.05
Rot. Bonds1

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

3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine (PubChem CID 134867970) has the molecular formula C13H7F3N2OS and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
PubChem CID134867970
Molecular FormulaC13H7F3N2OS
Molecular Weight296.27 g/mol
Exact Mass296.02
IUPAC Name3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2c(C(F)(F)F)c1-c1nccs1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)10-7-3-1-2-4-8(7)19-11(17)9(10)12-18-5-6-20-12/h1-6,17H/b17-11-
InChIKeyPVUNNKYSXBMCAS-BOPFTXTBSA-N
XLogP4.05
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine
CID 134867971
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134912142
Thiazolylcoumarin
CID 21856046
2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole
CID 19862479
3-(1,3-Thiazol-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 22167103
1-(1,3-Thiazol-2-yl)-3-[2-[2-(trifluoromethyl)phenoxy]phenyl]propan-2-one
CID 58541236
2-[4-(Trifluoromethoxy)phenyl]-1,3-thiazole
CID 66694987
2-Fluoro-6-[1-(1,3-thiazol-2-yl)ethoxy]benzonitrile
CID 66924286
2-[4-[2-(Trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole
CID 69117556
2-[5-Bromo-4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole
CID 69117613
[2,5-Dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-(1,3-thiazol-2-yl)methanimine
CID 88180150
2-[2,3-Bis(trifluoromethyl)phenoxy]-1,3-thiazole
CID 90749480

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine?
The IUPAC name of 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine (CID 134867970) is 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine is [H]/N=c1\oc2ccccc2c(C(F)(F)F)c1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine?
The InChIKey is PVUNNKYSXBMCAS-BOPFTXTBSA-N. The full InChI is InChI=1S/C13H7F3N2OS/c14-13(15,16)10-7-3-1-2-4-8(7)19-11(17)9(10)12-18-5-6-20-12/h1-6,17H/b17-11-.
What are the key properties of 3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine?
3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine has a molecular weight of 296.27 g/mol, XLogP of 4.05, 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)-4-(trifluoromethyl)chromen-2-imine is sourced from PubChem (CID 134867970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).