2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

C14H12FN3OS — CID 70686265

IUPAC2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(-c3ccc(NCCF)nc3)sc2c1
InChIInChI=1S/C14H12FN3OS/c15-5-6-16-13-4-1-9(8-17-13)14-18-11-3-2-10(19)7-12(11)20-14/h1-4,7-8,19H,5-6H2,(H,16,17)
InChIKeyNZYXQPVYVKZJSN-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.45
Rot. Bonds4

About 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (PubChem CID 70686265) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
PubChem CID70686265
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(-c3ccc(NCCF)nc3)sc2c1
InChIInChI=1S/C14H12FN3OS/c15-5-6-16-13-4-1-9(8-17-13)14-18-11-3-2-10(19)7-12(11)20-14/h1-4,7-8,19H,5-6H2,(H,16,17)
InChIKeyNZYXQPVYVKZJSN-UHFFFAOYSA-N
XLogP3.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[4-(3-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704553
Azd-2184
CID 16663275
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
4-{[4-(4-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704494
3-Methyl-4-(4-pyridin-3-yl-thiazol-2-ylamino)-phenol
CID 973002
4,7-Dimethyl-2-[(3-pyridinylmethyl)amino]-1,3-benzothiazol-6-ol
CID 10334136
5-(6-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878
2-[6-(Methylamino)pyridin-3-yl]-1,3-benzothiazol-5-ol
CID 24803728
2-[2-(Dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 24804066
2-[2-(Methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 24804068
6-Benzothiazolol, 2-(6-(methyl-11c-amino)-3-pyridinyl
CID 24804396
2-[6-[Bis(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzothiazol-6-ol
CID 54579969

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (CID 70686265) is 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is Oc1ccc2nc(-c3ccc(NCCF)nc3)sc2c1.
What is the InChIKey of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The InChIKey is NZYXQPVYVKZJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-5-6-16-13-4-1-9(8-17-13)14-18-11-3-2-10(19)7-12(11)20-14/h1-4,7-8,19H,5-6H2,(H,16,17).
What are the key properties of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol has a molecular weight of 289.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 70686265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).