2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine

C21H20F2N4S2 — CID 147772030

IUPAC2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
SMILESCC1C(c2cc3c(Nc4ccc5scnc5c4F)c(F)cnc3s2)CCCN1C
InChIInChI=1S/C21H20F2N4S2/c1-11-12(4-3-7-27(11)2)17-8-13-19(14(22)9-24-21(13)29-17)26-15-5-6-16-20(18(15)23)25-10-28-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,24,26)
InChIKeyHGCSKTWWJYVGBE-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.13
Rot. Bonds3

About 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine

2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 147772030) has the molecular formula C21H20F2N4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID147772030
Molecular FormulaC21H20F2N4S2
Molecular Weight430.55 g/mol
Exact Mass430.11
IUPAC Name2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
SMILESCC1C(c2cc3c(Nc4ccc5scnc5c4F)c(F)cnc3s2)CCCN1C
InChIInChI=1S/C21H20F2N4S2/c1-11-12(4-3-7-27(11)2)17-8-13-19(14(22)9-24-21(13)29-17)26-15-5-6-16-20(18(15)23)25-10-28-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,24,26)
InChIKeyHGCSKTWWJYVGBE-UHFFFAOYSA-N
XLogP6.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine (CID 147772030) is 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine is CC1C(c2cc3c(Nc4ccc5scnc5c4F)c(F)cnc3s2)CCCN1C.
What is the InChIKey of 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is HGCSKTWWJYVGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4S2/c1-11-12(4-3-7-27(11)2)17-8-13-19(14(22)9-24-21(13)29-17)26-15-5-6-16-20(18(15)23)25-10-28-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,24,26).
What are the key properties of 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine?
2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 430.55 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylpiperidin-3-yl)-5-fluoro-N-(4-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 147772030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).