4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

C20H17FN4S — CID 151823616

IUPAC4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C20H17FN4S/c1-25-11-15-8-13(2-3-17(15)24-25)14-9-16(21)19-18(10-14)26-20(23-19)12-4-6-22-7-5-12/h2-4,8-11,22H,5-7H2,1H3
InChIKeySDDFKFZEDNHUIH-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.37
Rot. Bonds2

About 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole

4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (PubChem CID 151823616) has the molecular formula C20H17FN4S and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
PubChem CID151823616
Molecular FormulaC20H17FN4S
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C20H17FN4S/c1-25-11-15-8-13(2-3-17(15)24-25)14-9-16(21)19-18(10-14)26-20(23-19)12-4-6-22-7-5-12/h2-4,8-11,22H,5-7H2,1H3
InChIKeySDDFKFZEDNHUIH-UHFFFAOYSA-N
XLogP4.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
The IUPAC name of 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole (CID 151823616) is 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is Cn1cc2cc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)ccc2n1.
What is the InChIKey of 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
The InChIKey is SDDFKFZEDNHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4S/c1-25-11-15-8-13(2-3-17(15)24-25)14-9-16(21)19-18(10-14)26-20(23-19)12-4-6-22-7-5-12/h2-4,8-11,22H,5-7H2,1H3.
What are the key properties of 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole?
4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole has a molecular weight of 364.45 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 151823616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).