4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

C15H9FN4S2 — CID 7086340

IUPAC4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3nc(-c4cccnc4)cs3)nc12
InChIInChI=1S/C15H9FN4S2/c16-10-4-1-5-12-13(10)19-15(22-12)20-14-18-11(8-21-14)9-3-2-6-17-7-9/h1-8H,(H,18,19,20)
InChIKeyGREQIPQVWRKGQH-UHFFFAOYSA-N
MW328.40 g/mol
LogP4.70
Rot. Bonds3

About 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7086340) has the molecular formula C15H9FN4S2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7086340
Molecular FormulaC15H9FN4S2
Molecular Weight328.40 g/mol
Exact Mass328.03
IUPAC Name4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3nc(-c4cccnc4)cs3)nc12
InChIInChI=1S/C15H9FN4S2/c16-10-4-1-5-12-13(10)19-15(22-12)20-14-18-11(8-21-14)9-3-2-6-17-7-9/h1-8H,(H,18,19,20)
InChIKeyGREQIPQVWRKGQH-UHFFFAOYSA-N
XLogP4.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine
CID 87431292
N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791198
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7086340) is 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is Fc1cccc2sc(Nc3nc(-c4cccnc4)cs3)nc12.
What is the InChIKey of 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is GREQIPQVWRKGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4S2/c16-10-4-1-5-12-13(10)19-15(22-12)20-14-18-11(8-21-14)9-3-2-6-17-7-9/h1-8H,(H,18,19,20).
What are the key properties of 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 328.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7086340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).