(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone

C9H14N4OS — CID 117214630

IUPAC(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone
SMILESNc1nnsc1C(=O)N1CCCCCC1
InChIInChI=1S/C9H14N4OS/c10-8-7(15-12-11-8)9(14)13-5-3-1-2-4-6-13/h1-6,10H2
InChIKeyHJIVAEJBNAGIJB-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.14
Rot. Bonds1

About (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone

(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone (PubChem CID 117214630) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone
PubChem CID117214630
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone
SMILESNc1nnsc1C(=O)N1CCCCCC1
InChIInChI=1S/C9H14N4OS/c10-8-7(15-12-11-8)9(14)13-5-3-1-2-4-6-13/h1-6,10H2
InChIKeyHJIVAEJBNAGIJB-UHFFFAOYSA-N
XLogP1.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepane-1-carbonyl)thiadiazole-5-carboxylic acid
CID 117214909
[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
CID 100751028
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 100751023
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
4-aminothiadiazole-5-carbothioic S-acid
CID 117214702
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 107406650

Frequently Asked Questions

What is the IUPAC name of (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone?
The IUPAC name of (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone (CID 117214630) is (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone is Nc1nnsc1C(=O)N1CCCCCC1.
What is the InChIKey of (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone?
The InChIKey is HJIVAEJBNAGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-8-7(15-12-11-8)9(14)13-5-3-1-2-4-6-13/h1-6,10H2.
What are the key properties of (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone?
(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone is sourced from PubChem (CID 117214630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).