(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C12H14N6OS — CID 37027060

IUPAC(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C12H14N6OS/c19-11(16-12-17-15-8-20-12)9-2-1-5-18(7-9)10-6-13-3-4-14-10/h3-4,6,8-9H,1-2,5,7H2,(H,16,17,19)/t9-/m0/s1
InChIKeyUYZWMQKZQMUNOY-VIFPVBQESA-N
MW290.35 g/mol
LogP1.18
Rot. Bonds3

About (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 37027060) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID37027060
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C12H14N6OS/c19-11(16-12-17-15-8-20-12)9-2-1-5-18(7-9)10-6-13-3-4-14-10/h3-4,6,8-9H,1-2,5,7H2,(H,16,17,19)/t9-/m0/s1
InChIKeyUYZWMQKZQMUNOY-VIFPVBQESA-N
XLogP1.18
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027970
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027971
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 37027060) is (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nncs1)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is UYZWMQKZQMUNOY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N6OS/c19-11(16-12-17-15-8-20-12)9-2-1-5-18(7-9)10-6-13-3-4-14-10/h3-4,6,8-9H,1-2,5,7H2,(H,16,17,19)/t9-/m0/s1.
What are the key properties of (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 37027060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).