1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C16H21N5OS — CID 46907677

IUPAC1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2nnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C16H21N5OS/c1-20(2)13-5-3-4-12(10-13)15-18-19-16(23-15)21-8-6-11(7-9-21)14(17)22/h3-5,10-11H,6-9H2,1-2H3,(H2,17,22)
InChIKeySAECCWGUNHTKAI-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.97
Rot. Bonds4

About 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907677) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907677
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2nnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C16H21N5OS/c1-20(2)13-5-3-4-12(10-13)15-18-19-16(23-15)21-8-6-11(7-9-21)14(17)22/h3-5,10-11H,6-9H2,1-2H3,(H2,17,22)
InChIKeySAECCWGUNHTKAI-UHFFFAOYSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 46907677) is 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CN(C)c1cccc(-c2nnc(N3CCC(C(N)=O)CC3)s2)c1.
What is the InChIKey of 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is SAECCWGUNHTKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-20(2)13-5-3-4-12(10-13)15-18-19-16(23-15)21-8-6-11(7-9-21)14(17)22/h3-5,10-11H,6-9H2,1-2H3,(H2,17,22).
What are the key properties of 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).