N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine

C9H17N3S — CID 105083153

IUPACN-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCCNC(CC(C)C)c1cnns1
InChIInChI=1S/C9H17N3S/c1-4-10-8(5-7(2)3)9-6-11-12-13-9/h6-8,10H,4-5H2,1-3H3
InChIKeyKKIUWBLGDGYBEQ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.23
Rot. Bonds5

About N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine

N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine (PubChem CID 105083153) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine
PubChem CID105083153
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCCNC(CC(C)C)c1cnns1
InChIInChI=1S/C9H17N3S/c1-4-10-8(5-7(2)3)9-6-11-12-13-9/h6-8,10H,4-5H2,1-3H3
InChIKeyKKIUWBLGDGYBEQ-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(thiadiazol-5-yl)hexan-1-amine
CID 105129677
N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
CID 105153420
N-ethyl-1-(thiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177958
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105175015
N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144822
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
CID 105100347
N-ethyl-3-methyl-1-pyridazin-4-ylbutan-1-amine
CID 105082936
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
N-ethyl-2-(1-ethylindazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105160298
N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105147184
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine (CID 105083153) is N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine is CCNC(CC(C)C)c1cnns1.
What is the InChIKey of N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine?
The InChIKey is KKIUWBLGDGYBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-10-8(5-7(2)3)9-6-11-12-13-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine?
N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105083153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).