(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone

C8H11N3OS — CID 176892157

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
SMILESNc1nnc(C(=O)C2CCCC2)s1
InChIInChI=1S/C8H11N3OS/c9-8-11-10-7(13-8)6(12)5-3-1-2-4-5/h5H,1-4H2,(H2,9,11)
InChIKeyGCUSXNDWQHTFKI-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.49
Rot. Bonds2

About (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone

(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone (PubChem CID 176892157) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
PubChem CID176892157
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
SMILESNc1nnc(C(=O)C2CCCC2)s1
InChIInChI=1S/C8H11N3OS/c9-8-11-10-7(13-8)6(12)5-3-1-2-4-5/h5H,1-4H2,(H2,9,11)
InChIKeyGCUSXNDWQHTFKI-UHFFFAOYSA-N
XLogP1.49
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617219
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 80615337
cyclohexyl-(4,6-diaminotriazin-5-yl)methanone
CID 141052840
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 80616823
(5-amino-1,3,4-thiadiazol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 80616835
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617173
5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 58091502
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80618421
5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617754
(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone (CID 176892157) is (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone is Nc1nnc(C(=O)C2CCCC2)s1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
The InChIKey is GCUSXNDWQHTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-8-11-10-7(13-8)6(12)5-3-1-2-4-5/h5H,1-4H2,(H2,9,11).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone has a molecular weight of 197.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone is sourced from PubChem (CID 176892157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).