N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

C14H21N3O2S — CID 74236378

IUPACN-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1ccon1
InChIInChI=1S/C14H21N3O2S/c18-14(13-3-8-19-16-13)15-11-1-6-17(7-2-11)12-4-9-20-10-5-12/h3,8,11-12H,1-2,4-7,9-10H2,(H,15,18)
InChIKeyYRTPSUNWKGIUJY-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 74236378) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID74236378
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1ccon1
InChIInChI=1S/C14H21N3O2S/c18-14(13-3-8-19-16-13)15-11-1-6-17(7-2-11)12-4-9-20-10-5-12/h3,8,11-12H,1-2,4-7,9-10H2,(H,15,18)
InChIKeyYRTPSUNWKGIUJY-UHFFFAOYSA-N
XLogP1.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 74236378) is N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN(C2CCSCC2)CC1)c1ccon1.
What is the InChIKey of N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YRTPSUNWKGIUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-14(13-3-8-19-16-13)15-11-1-6-17(7-2-11)12-4-9-20-10-5-12/h3,8,11-12H,1-2,4-7,9-10H2,(H,15,18).
What are the key properties of N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thian-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 74236378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).