5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile

C13H9FN4S — CID 82016728

IUPAC5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCc1cn2ccsc2n1
InChIInChI=1S/C13H9FN4S/c14-10-1-2-12(9(5-10)6-15)16-7-11-8-18-3-4-19-13(18)17-11/h1-5,8,16H,7H2
InChIKeyBGEKEONFBGRFAZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.02
Rot. Bonds3

About 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile

5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile (PubChem CID 82016728) has the molecular formula C13H9FN4S and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile
PubChem CID82016728
Molecular FormulaC13H9FN4S
Molecular Weight272.31 g/mol
Exact Mass272.05
IUPAC Name5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCc1cn2ccsc2n1
InChIInChI=1S/C13H9FN4S/c14-10-1-2-12(9(5-10)6-15)16-7-11-8-18-3-4-19-13(18)17-11/h1-5,8,16H,7H2
InChIKeyBGEKEONFBGRFAZ-UHFFFAOYSA-N
XLogP3.02
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile
CID 63674295
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 63673297
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
CID 115335436
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458961
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile
CID 115331832
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile?
The IUPAC name of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile (CID 82016728) is 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile is N#Cc1cc(F)ccc1NCc1cn2ccsc2n1.
What is the InChIKey of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile?
The InChIKey is BGEKEONFBGRFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4S/c14-10-1-2-12(9(5-10)6-15)16-7-11-8-18-3-4-19-13(18)17-11/h1-5,8,16H,7H2.
What are the key properties of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile?
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile is sourced from PubChem (CID 82016728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).