N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide

C21H29N5OS — CID 58430715

IUPACN,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C21H29N5OS/c1-24(2)20(27)17-8-6-7-16(15-17)19-22-23-21(28-19)26-13-9-18(10-14-26)25-11-4-3-5-12-25/h6-8,15,18H,3-5,9-14H2,1-2H3
InChIKeyXLHYODKNYXTWMA-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.36
Rot. Bonds4

About N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide

N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 58430715) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID58430715
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC NameN,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C21H29N5OS/c1-24(2)20(27)17-8-6-7-16(15-17)19-22-23-21(28-19)26-13-9-18(10-14-26)25-11-4-3-5-12-25/h6-8,15,18H,3-5,9-14H2,1-2H3
InChIKeyXLHYODKNYXTWMA-UHFFFAOYSA-N
XLogP3.36
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 58430715) is N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide is CN(C)C(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1.
What is the InChIKey of N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is XLHYODKNYXTWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-24(2)20(27)17-8-6-7-16(15-17)19-22-23-21(28-19)26-13-9-18(10-14-26)25-11-4-3-5-12-25/h6-8,15,18H,3-5,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide?
N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 399.56 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 58430715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).