N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide

C19H25N5OS — CID 166314873

IUPACN-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)nc1)c1nnc(C2CCNCC2)s1
InChIInChI=1S/C19H25N5OS/c25-17(19-24-23-18(26-19)14-8-10-20-11-9-14)22-15-6-7-16(21-12-15)13-4-2-1-3-5-13/h6-7,12-14,20H,1-5,8-11H2,(H,22,25)
InChIKeyBMKPUCKNGJGICF-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.70
Rot. Bonds4

About N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide

N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 166314873) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID166314873
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)nc1)c1nnc(C2CCNCC2)s1
InChIInChI=1S/C19H25N5OS/c25-17(19-24-23-18(26-19)14-8-10-20-11-9-14)22-15-6-7-16(21-12-15)13-4-2-1-3-5-13/h6-7,12-14,20H,1-5,8-11H2,(H,22,25)
InChIKeyBMKPUCKNGJGICF-UHFFFAOYSA-N
XLogP3.70
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate
CID 15391223
5-[1-(cyclopentylcarbamoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375784
N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 166314838
5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid
CID 83886040
5-[(3S)-1-(cyclohexylcarbamoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879607
N-(3-chlorophenyl)-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94133475
5-[(3S)-1-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879761
N-(6-cyclohexyl-3-pyridinyl)-5-methylpiperidine-3-carboxamide
CID 167808044
5-[(3R)-1-benzoylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088378
N-(4-fluorophenyl)-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816624
N-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088709
5-[1-[(4-chlorophenyl)carbamoyl]piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 20971171

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide (CID 166314873) is N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(C2CCCCC2)nc1)c1nnc(C2CCNCC2)s1.
What is the InChIKey of N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BMKPUCKNGJGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c25-17(19-24-23-18(26-19)14-8-10-20-11-9-14)22-15-6-7-16(21-12-15)13-4-2-1-3-5-13/h6-7,12-14,20H,1-5,8-11H2,(H,22,25).
What are the key properties of N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide?
N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 166314873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).