N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C12H8FN3S2 — CID 163214681

IUPACN-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C12H8FN3S2/c13-8-2-1-3-9(6-8)15-12-16-10(7-18-12)11-14-4-5-17-11/h1-7H,(H,15,16)
InChIKeyIALVPYOIIOBVIK-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.15
Rot. Bonds3

About N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214681) has the molecular formula C12H8FN3S2 and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214681
Molecular FormulaC12H8FN3S2
Molecular Weight277.35 g/mol
Exact Mass277.01
IUPAC NameN-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C12H8FN3S2/c13-8-2-1-3-9(6-8)15-12-16-10(7-18-12)11-14-4-5-17-11/h1-7H,(H,15,16)
InChIKeyIALVPYOIIOBVIK-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214681) is N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Fc1cccc(Nc2nc(-c3nccs3)cs2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IALVPYOIIOBVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S2/c13-8-2-1-3-9(6-8)15-12-16-10(7-18-12)11-14-4-5-17-11/h1-7H,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 277.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).