2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile

C10H8FN3S — CID 147757189

IUPAC2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile
SMILESN#CC1SC(N)=NC1c1ccc(F)cc1
InChIInChI=1S/C10H8FN3S/c11-7-3-1-6(2-4-7)9-8(5-12)15-10(13)14-9/h1-4,8-9H,(H2,13,14)
InChIKeyHDIVSOFIWULZHZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.82
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile

2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile (PubChem CID 147757189) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile
PubChem CID147757189
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile
SMILESN#CC1SC(N)=NC1c1ccc(F)cc1
InChIInChI=1S/C10H8FN3S/c11-7-3-1-6(2-4-7)9-8(5-12)15-10(13)14-9/h1-4,8-9H,(H2,13,14)
InChIKeyHDIVSOFIWULZHZ-UHFFFAOYSA-N
XLogP1.82
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 660679
(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate
CID 660446
4-Phenyl-thiazolidin-(2E)-ylideneamine
CID 13196077
N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2733074
4-(4-Fluorophenyl)-6-phenyl-4 h-1,3-thiazin-2-amine
CID 11185215
4-(3,4-Difluorophenyl)-6-phenyl-4 h-1,3-thiazin-2-amine
CID 129874407
4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine
CID 135934664
4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 12402628
2-(4-Phenyl-4,5-dihydro-1,3-thiazol-2-yl)acetonitrile
CID 69950018
4-[[3-(Trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 54102121
4,5-Dihydro-N-(2,2,2-trifluoro-1-phenylethyl)-2-thiazolamine
CID 54168734

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile (CID 147757189) is 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile is N#CC1SC(N)=NC1c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile?
The InChIKey is HDIVSOFIWULZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c11-7-3-1-6(2-4-7)9-8(5-12)15-10(13)14-9/h1-4,8-9H,(H2,13,14).
What are the key properties of 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile?
2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 147757189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).