pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

C18H21N3OS — CID 110289978

IUPACpyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C18H21N3OS/c22-18(14-4-3-9-19-12-14)21-10-7-13(8-11-21)17-20-15-5-1-2-6-16(15)23-17/h3-4,9,12-13H,1-2,5-8,10-11H2
InChIKeyPQGJHAAQXASTNX-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.44
Rot. Bonds2

About pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110289978) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110289978
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Namepyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C18H21N3OS/c22-18(14-4-3-9-19-12-14)21-10-7-13(8-11-21)17-20-15-5-1-2-6-16(15)23-17/h3-4,9,12-13H,1-2,5-8,10-11H2
InChIKeyPQGJHAAQXASTNX-UHFFFAOYSA-N
XLogP3.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289983
pyridin-3-yl-[2-(pyrrolidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 97442557
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289960
2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[4-(6-cyclobutyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 68824394
(3-chlorophenyl)-[4-[6-(cyclobutadienyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidin-1-yl]methanone
CID 68824804
ethyl 2-oxo-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]acetate
CID 110289985
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
N-[5-(pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525644

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 110289978) is pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PQGJHAAQXASTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-18(14-4-3-9-19-12-14)21-10-7-13(8-11-21)17-20-15-5-1-2-6-16(15)23-17/h3-4,9,12-13H,1-2,5-8,10-11H2.
What are the key properties of pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 327.45 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110289978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).