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

C15H18N4OS — CID 46907692

IUPAC1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)s2)cc1
InChIInChI=1S/C15H18N4OS/c1-10-2-4-12(5-3-10)14-17-18-15(21-14)19-8-6-11(7-9-19)13(16)20/h2-5,11H,6-9H2,1H3,(H2,16,20)
InChIKeyNFGBSXLARAJBBS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.22
Rot. Bonds3

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

1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907692) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907692
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)s2)cc1
InChIInChI=1S/C15H18N4OS/c1-10-2-4-12(5-3-10)14-17-18-15(21-14)19-8-6-11(7-9-19)13(16)20/h2-5,11H,6-9H2,1H3,(H2,16,20)
InChIKeyNFGBSXLARAJBBS-UHFFFAOYSA-N
XLogP2.22
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 46907692) is 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)s2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is NFGBSXLARAJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-2-4-12(5-3-10)14-17-18-15(21-14)19-8-6-11(7-9-19)13(16)20/h2-5,11H,6-9H2,1H3,(H2,16,20).
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).