4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile

C13H12FN3OS — CID 107668134

IUPAC4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile
SMILESCCNc1ncc(COc2ccc(C#N)cc2F)s1
InChIInChI=1S/C13H12FN3OS/c1-2-16-13-17-7-10(19-13)8-18-12-4-3-9(6-15)5-11(12)14/h3-5,7H,2,8H2,1H3,(H,16,17)
InChIKeyFNLUUFDEOKYHLQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.16
Rot. Bonds5

About 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile

4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile (PubChem CID 107668134) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile
PubChem CID107668134
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile
SMILESCCNc1ncc(COc2ccc(C#N)cc2F)s1
InChIInChI=1S/C13H12FN3OS/c1-2-16-13-17-7-10(19-13)8-18-12-4-3-9(6-15)5-11(12)14/h3-5,7H,2,8H2,1H3,(H,16,17)
InChIKeyFNLUUFDEOKYHLQ-UHFFFAOYSA-N
XLogP3.16
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025
4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
CID 107670432
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107660698
N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 107660672
5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
4-[3-(ethylamino)propoxy]-3-fluorobenzonitrile
CID 107667022
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
5-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701
4-[[3-tert-butyl-5-[(4-cyano-2-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 156508177
N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774389
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 133376876

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile (CID 107668134) is 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile is CCNc1ncc(COc2ccc(C#N)cc2F)s1.
What is the InChIKey of 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile?
The InChIKey is FNLUUFDEOKYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-2-16-13-17-7-10(19-13)8-18-12-4-3-9(6-15)5-11(12)14/h3-5,7H,2,8H2,1H3,(H,16,17).
What are the key properties of 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile?
4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile has a molecular weight of 277.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-1,3-thiazol-5-yl]methoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 107668134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).