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

C10H6FN3S — CID 83535265

IUPAC2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N)nc1-c1cccc(F)c1
InChIInChI=1S/C10H6FN3S/c11-7-3-1-2-6(4-7)9-8(5-12)15-10(13)14-9/h1-4H,(H2,13,14)
InChIKeyNREMIQZXEQFRKX-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.40
Rot. Bonds1

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

2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 83535265) has the molecular formula C10H6FN3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID83535265
Molecular FormulaC10H6FN3S
Molecular Weight219.24 g/mol
Exact Mass219.03
IUPAC Name2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N)nc1-c1cccc(F)c1
InChIInChI=1S/C10H6FN3S/c11-7-3-1-2-6(4-7)9-8(5-12)15-10(13)14-9/h1-4H,(H2,13,14)
InChIKeyNREMIQZXEQFRKX-UHFFFAOYSA-N
XLogP2.40
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 83535265) is 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile is N#Cc1sc(N)nc1-c1cccc(F)c1.
What is the InChIKey of 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NREMIQZXEQFRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3S/c11-7-3-1-2-6(4-7)9-8(5-12)15-10(13)14-9/h1-4H,(H2,13,14).
What are the key properties of 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 83535265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).