(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone

C14H15N3OS — CID 95833568

IUPAC(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C14H15N3OS/c18-14(13-9-16-19-10-13)17-7-3-12(4-8-17)11-1-5-15-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyCWSOWIRDFLFZRS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.56
Rot. Bonds2

About (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone

(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone (PubChem CID 95833568) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone
PubChem CID95833568
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C14H15N3OS/c18-14(13-9-16-19-10-13)17-7-3-12(4-8-17)11-1-5-15-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyCWSOWIRDFLFZRS-UHFFFAOYSA-N
XLogP2.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone?
The IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone (CID 95833568) is (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone is O=C(c1cnsc1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone?
The InChIKey is CWSOWIRDFLFZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14(13-9-16-19-10-13)17-7-3-12(4-8-17)11-1-5-15-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2.
What are the key properties of (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone?
(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 95833568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).