N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine

C21H19FN6S — CID 175095374

IUPACN-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
SMILESFc1cnc(Nc2ccccn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
InChIInChI=1S/C21H19FN6S/c22-15-12-24-20(27-18-7-3-4-10-23-18)28-19(15)13-8-9-16-17(11-13)29-21(26-16)25-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,25,26)(H,23,24,27,28)
InChIKeyHGFNIHIUOHHFSF-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.39
Rot. Bonds5

About N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine

N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine (PubChem CID 175095374) has the molecular formula C21H19FN6S and a molecular weight of 406.49 g/mol. Its IUPAC name is N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
PubChem CID175095374
Molecular FormulaC21H19FN6S
Molecular Weight406.49 g/mol
Exact Mass406.14
IUPAC NameN-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
SMILESFc1cnc(Nc2ccccn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
InChIInChI=1S/C21H19FN6S/c22-15-12-24-20(27-18-7-3-4-10-23-18)28-19(15)13-8-9-16-17(11-13)29-21(26-16)25-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,25,26)(H,23,24,27,28)
InChIKeyHGFNIHIUOHHFSF-UHFFFAOYSA-N
XLogP5.39
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine (CID 175095374) is N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine is Fc1cnc(Nc2ccccn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1.
What is the InChIKey of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
The InChIKey is HGFNIHIUOHHFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6S/c22-15-12-24-20(27-18-7-3-4-10-23-18)28-19(15)13-8-9-16-17(11-13)29-21(26-16)25-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,25,26)(H,23,24,27,28).
What are the key properties of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine has a molecular weight of 406.49 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 175095374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).