2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole

C21H20N4S2 — CID 86916384

IUPAC2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(CN3CCCCC3c3nc4ccccc4s3)cs2)nc1
InChIInChI=1S/C21H20N4S2/c1-2-10-19-16(7-1)24-21(27-19)18-9-4-6-12-25(18)13-15-14-26-20(23-15)17-8-3-5-11-22-17/h1-3,5,7-8,10-11,14,18H,4,6,9,12-13H2
InChIKeyRVMYQBRCLFSJNB-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.54
Rot. Bonds4

About 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole

2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole (PubChem CID 86916384) has the molecular formula C21H20N4S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole
PubChem CID86916384
Molecular FormulaC21H20N4S2
Molecular Weight392.55 g/mol
Exact Mass392.11
IUPAC Name2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(CN3CCCCC3c3nc4ccccc4s3)cs2)nc1
InChIInChI=1S/C21H20N4S2/c1-2-10-19-16(7-1)24-21(27-19)18-9-4-6-12-25(18)13-15-14-26-20(23-15)17-8-3-5-11-22-17/h1-3,5,7-8,10-11,14,18H,4,6,9,12-13H2
InChIKeyRVMYQBRCLFSJNB-UHFFFAOYSA-N
XLogP5.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
2-[(2S)-1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]-1,3-benzothiazole
CID 51485104
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 71861442
2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 9135816
4-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]phenol
CID 75405830
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9135130
7-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9209147
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 9135313
3-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 9135716
3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 31388680
3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanenitrile
CID 26607611

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole (CID 86916384) is 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole is c1ccc(-c2nc(CN3CCCCC3c3nc4ccccc4s3)cs2)nc1.
What is the InChIKey of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole?
The InChIKey is RVMYQBRCLFSJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S2/c1-2-10-19-16(7-1)24-21(27-19)18-9-4-6-12-25(18)13-15-14-26-20(23-15)17-8-3-5-11-22-17/h1-3,5,7-8,10-11,14,18H,4,6,9,12-13H2.
What are the key properties of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole?
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole has a molecular weight of 392.55 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 86916384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).