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

C23H24FN3O2S3 — CID 162433314

IUPACtert-butyl 4-[2-(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
SMILESCc1nc2c(F)cc(-c3nc4sc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)cc2s1
InChIInChI=1S/C23H24FN3O2S3/c1-12-25-19-15(24)9-14(10-17(19)30-12)20-26-21-18(32-20)11-16(31-21)13-5-7-27(8-6-13)22(28)29-23(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyCWOOJWXQOPVDOJ-UHFFFAOYSA-N
MW489.66 g/mol
LogP7.20
Rot. Bonds2

About 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

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 (PubChem CID 162433314) has the molecular formula C23H24FN3O2S3 and a molecular weight of 489.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
PubChem CID162433314
Molecular FormulaC23H24FN3O2S3
Molecular Weight489.66 g/mol
Exact Mass489.10
IUPAC Nametert-butyl 4-[2-(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
SMILESCc1nc2c(F)cc(-c3nc4sc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)cc2s1
InChIInChI=1S/C23H24FN3O2S3/c1-12-25-19-15(24)9-14(10-17(19)30-12)20-26-21-18(32-20)11-16(31-21)13-5-7-27(8-6-13)22(28)29-23(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyCWOOJWXQOPVDOJ-UHFFFAOYSA-N
XLogP7.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride
CID 162433200
tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CID 153383485
tert-butyl 4-[7-fluoro-5-(2-methyl-1,3-benzothiazol-6-yl)indazol-2-yl]piperidine-1-carboxylate
CID 168902454
tert-butyl 4-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162432935
tert-butyl 4-[2-(7-fluoro-2-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]piperidine-1-carboxylate
CID 178051078
tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-methylamino]piperidine-1-carboxylate
CID 153383138
tert-butyl 1-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 162433144
tert-butyl 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]-2-methylpiperazine-1-carboxylate
CID 162433031
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 59505000
tert-butyl N-ethyl-N-[1-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-yl]carbamate
CID 162433196
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(F)cc(-c3nc4sc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)cc2s1.
What is the InChIKey of 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?
The InChIKey is CWOOJWXQOPVDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S3/c1-12-25-19-15(24)9-14(10-17(19)30-12)20-26-21-18(32-20)11-16(31-21)13-5-7-27(8-6-13)22(28)29-23(2,3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 489.66 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162433314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).