(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C16H22N6OS — CID 37027970

IUPAC(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-2-3-6-14-20-21-16(24-14)19-15(23)12-5-4-9-22(11-12)13-10-17-7-8-18-13/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,21,23)/t12-/m1/s1
InChIKeyYZYWPJPOZCVOAJ-GFCCVEGCSA-N
MW346.46 g/mol
LogP2.53
Rot. Bonds6

About (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37027970) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37027970
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-2-3-6-14-20-21-16(24-14)19-15(23)12-5-4-9-22(11-12)13-10-17-7-8-18-13/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,21,23)/t12-/m1/s1
InChIKeyYZYWPJPOZCVOAJ-GFCCVEGCSA-N
XLogP2.53
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027971
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55906892
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37027970) is (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide is CCCCc1nnc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)s1.
What is the InChIKey of (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is YZYWPJPOZCVOAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-2-3-6-14-20-21-16(24-14)19-15(23)12-5-4-9-22(11-12)13-10-17-7-8-18-13/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,21,23)/t12-/m1/s1.
What are the key properties of (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37027970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).