(2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide

C10H15N5O2S2 — CID 9199510

IUPAC(2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H15N5O2S2/c11-8(17)6-3-1-2-4-15(6)7(16)5-18-10-14-13-9(12)19-10/h6H,1-5H2,(H2,11,17)(H2,12,13)/t6-/m0/s1
InChIKeyZPQPOQNKXLWICO-LURJTMIESA-N
MW301.40 g/mol
LogP0.08
Rot. Bonds4

About (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide

(2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide (PubChem CID 9199510) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide
PubChem CID9199510
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name(2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(N)s1
InChIInChI=1S/C10H15N5O2S2/c11-8(17)6-3-1-2-4-15(6)7(16)5-18-10-14-13-9(12)19-10/h6H,1-5H2,(H2,11,17)(H2,12,13)/t6-/m0/s1
InChIKeyZPQPOQNKXLWICO-LURJTMIESA-N
XLogP0.08
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 9199511
CID 9199511
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide (CID 9199510) is (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(N)s1.
What is the InChIKey of (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide?
The InChIKey is ZPQPOQNKXLWICO-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N5O2S2/c11-8(17)6-3-1-2-4-15(6)7(16)5-18-10-14-13-9(12)19-10/h6H,1-5H2,(H2,11,17)(H2,12,13)/t6-/m0/s1.
What are the key properties of (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide?
(2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 9199510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).