N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide

C20H27N5OS — CID 166314838

IUPACN-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(c2cccc(NC(=O)c3nnc(C4CCNCC4)s3)c2)CC1
InChIInChI=1S/C20H27N5OS/c1-25-11-7-14(8-12-25)16-3-2-4-17(13-16)22-18(26)20-24-23-19(27-20)15-5-9-21-10-6-15/h2-4,13-15,21H,5-12H2,1H3,(H,22,26)
InChIKeyQREHAFASMNRMCH-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.07
Rot. Bonds4

About N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide

N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 166314838) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID166314838
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(c2cccc(NC(=O)c3nnc(C4CCNCC4)s3)c2)CC1
InChIInChI=1S/C20H27N5OS/c1-25-11-7-14(8-12-25)16-3-2-4-17(13-16)22-18(26)20-24-23-19(27-20)15-5-9-21-10-6-15/h2-4,13-15,21H,5-12H2,1H3,(H,22,26)
InChIKeyQREHAFASMNRMCH-UHFFFAOYSA-N
XLogP3.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 166276779
5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816367
N-(3-chlorophenyl)-5-(1-ethylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
CID 50818906
5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376550
N-(3-chlorophenyl)-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94133475
methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate
CID 15391223
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971150
N-(4-methylphenyl)-5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376500
5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816338
N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 166314873
N-(3-chlorophenyl)-5-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818702
N-(3-chlorophenyl)-5-[1-[(2,3-dimethylphenyl)carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 20971216

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide (CID 166314838) is N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide is CN1CCC(c2cccc(NC(=O)c3nnc(C4CCNCC4)s3)c2)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QREHAFASMNRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-25-11-7-14(8-12-25)16-3-2-4-17(13-16)22-18(26)20-24-23-19(27-20)15-5-9-21-10-6-15/h2-4,13-15,21H,5-12H2,1H3,(H,22,26).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 385.54 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 166314838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).