4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride

C18H17ClFN3S3 — CID 162433200

IUPAC4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride
SMILESCc1nc2c(F)cc(-c3nc4sc(C5CCNCC5)cc4s3)cc2s1.Cl
InChIInChI=1S/C18H16FN3S3.ClH/c1-9-21-16-12(19)6-11(7-14(16)23-9)17-22-18-15(25-17)8-13(24-18)10-2-4-20-5-3-10;/h6-8,10,20H,2-5H2,1H3;1H
InChIKeyDBOIBJIVHRZLRP-UHFFFAOYSA-N
MW426.01 g/mol
LogP5.97
Rot. Bonds2

About 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride

4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride (PubChem CID 162433200) has the molecular formula C18H17ClFN3S3 and a molecular weight of 426.01 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride
PubChem CID162433200
Molecular FormulaC18H17ClFN3S3
Molecular Weight426.01 g/mol
Exact Mass425.03
IUPAC Name4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride
SMILESCc1nc2c(F)cc(-c3nc4sc(C5CCNCC5)cc4s3)cc2s1.Cl
InChIInChI=1S/C18H16FN3S3.ClH/c1-9-21-16-12(19)6-11(7-14(16)23-9)17-22-18-15(25-17)8-13(24-18)10-2-4-20-5-3-10;/h6-8,10,20H,2-5H2,1H3;1H
InChIKeyDBOIBJIVHRZLRP-UHFFFAOYSA-N
XLogP5.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.01
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433314
2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
CID 168979229
2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
CID 168979307
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383064
4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383573
6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-N,N,2-trimethylimidazo[1,2-b]pyridazin-8-amine;hydrochloride
CID 153383206
(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane
CID 167500583
methyl 2-[6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]acetate;hydrochloride
CID 153383568
2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]thiazolo[5,4-c]pyridine;formic acid
CID 146585641
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433134
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3-thiazole
CID 118426930
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline;dihydrochloride
CID 146585605

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride?
The IUPAC name of 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride (CID 162433200) is 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride is Cc1nc2c(F)cc(-c3nc4sc(C5CCNCC5)cc4s3)cc2s1.Cl.
What is the InChIKey of 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride?
The InChIKey is DBOIBJIVHRZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S3.ClH/c1-9-21-16-12(19)6-11(7-14(16)23-9)17-22-18-15(25-17)8-13(24-18)10-2-4-20-5-3-10;/h6-8,10,20H,2-5H2,1H3;1H.
What are the key properties of 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride?
4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 162433200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).