(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C9H14N4O2S — CID 80618421

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1nnc(C(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C9H14N4O2S/c10-9-12-11-7(16-9)8(15)13-3-1-2-6(4-13)5-14/h6,14H,1-5H2,(H2,10,12)
InChIKeyDMPFZIDDGDWDKI-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.04
Rot. Bonds2

About (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 80618421) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID80618421
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1nnc(C(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C9H14N4O2S/c10-9-12-11-7(16-9)8(15)13-3-1-2-6(4-13)5-14/h6,14H,1-5H2,(H2,10,12)
InChIKeyDMPFZIDDGDWDKI-UHFFFAOYSA-N
XLogP-0.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone
CID 80616319
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 80615337
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 116670425
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80618423
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114888993
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 80618421) is (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Nc1nnc(C(=O)N2CCCC(CO)C2)s1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DMPFZIDDGDWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-9-12-11-7(16-9)8(15)13-3-1-2-6(4-13)5-14/h6,14H,1-5H2,(H2,10,12).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 242.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80618421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).