2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine

C9H17N3S — CID 65280249

IUPAC2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine
SMILESCCc1nsc(C(C)C(N)CC)n1
InChIInChI=1S/C9H17N3S/c1-4-7(10)6(3)9-11-8(5-2)12-13-9/h6-7H,4-5,10H2,1-3H3
InChIKeyRQHYMIHWWBSDCE-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine

2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine (PubChem CID 65280249) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine
PubChem CID65280249
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine
SMILESCCc1nsc(C(C)C(N)CC)n1
InChIInChI=1S/C9H17N3S/c1-4-7(10)6(3)9-11-8(5-2)12-13-9/h6-7H,4-5,10H2,1-3H3
InChIKeyRQHYMIHWWBSDCE-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280169
N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280668
1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280536
1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 143676340
1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
CID 82398640
5-(2-bromopentan-3-yl)-3-propyl-1,2,4-thiadiazole
CID 65280014
5-(3-bromopentan-2-yl)-3-methyl-1,2,4-thiadiazole
CID 65272871
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
CID 65280352
3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280428
3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol
CID 114370705
2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
CID 63550016
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine
CID 65280554

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine?
The IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine (CID 65280249) is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine.
What is the SMILES notation for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine?
The canonical SMILES for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine is CCc1nsc(C(C)C(N)CC)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine?
The InChIKey is RQHYMIHWWBSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-7(10)6(3)9-11-8(5-2)12-13-9/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine?
2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine has a molecular weight of 199.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-3-amine is sourced from PubChem (CID 65280249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).