6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole

C11H6FN3S — CID 156779617

IUPAC6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole
SMILESFc1cncnc1-c1ccc2ncsc2c1
InChIInChI=1S/C11H6FN3S/c12-8-4-13-5-14-11(8)7-1-2-9-10(3-7)16-6-15-9/h1-6H
InChIKeyQBMGLLWJRQQJHF-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.89
Rot. Bonds1

About 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole

6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole (PubChem CID 156779617) has the molecular formula C11H6FN3S and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole
PubChem CID156779617
Molecular FormulaC11H6FN3S
Molecular Weight231.26 g/mol
Exact Mass231.03
IUPAC Name6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole
SMILESFc1cncnc1-c1ccc2ncsc2c1
InChIInChI=1S/C11H6FN3S/c12-8-4-13-5-14-11(8)7-1-2-9-10(3-7)16-6-15-9/h1-6H
InChIKeyQBMGLLWJRQQJHF-UHFFFAOYSA-N
XLogP2.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 122510821
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094461
6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole
CID 165372322
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
6-(3-chlorophenyl)-1,3-benzothiazole
CID 166918051
6-(1H-pyrrol-2-yl)-1,3-benzothiazole
CID 67416063
6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
CID 122510529
6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
CID 122510648
6-fluoranthen-3-yl-1,3-benzothiazole
CID 121287541
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 123886434
6-[2-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121349966

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole?
The IUPAC name of 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole (CID 156779617) is 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole?
The canonical SMILES for 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole is Fc1cncnc1-c1ccc2ncsc2c1.
What is the InChIKey of 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole?
The InChIKey is QBMGLLWJRQQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3S/c12-8-4-13-5-14-11(8)7-1-2-9-10(3-7)16-6-15-9/h1-6H.
What are the key properties of 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole?
6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole has a molecular weight of 231.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 156779617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).