4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine

C11H21N3S — CID 105126748

IUPAC4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
SMILESCC(C)CCC(N)c1snnc1C(C)C
InChIInChI=1S/C11H21N3S/c1-7(2)5-6-9(12)11-10(8(3)4)13-14-15-11/h7-9H,5-6,12H2,1-4H3
InChIKeyOOAGWLSGUXDYEX-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.10
Rot. Bonds5

About 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine

4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine (PubChem CID 105126748) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
PubChem CID105126748
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
SMILESCC(C)CCC(N)c1snnc1C(C)C
InChIInChI=1S/C11H21N3S/c1-7(2)5-6-9(12)11-10(8(3)4)13-14-15-11/h7-9H,5-6,12H2,1-4H3
InChIKeyOOAGWLSGUXDYEX-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560
2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105168462
2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136962
2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136160
1-(4-propan-2-ylthiadiazol-5-yl)prop-2-yn-1-amine
CID 105158202
(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154182
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105180886
2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105107359
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158761
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105152360
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105082276

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine (CID 105126748) is 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine is CC(C)CCC(N)c1snnc1C(C)C.
What is the InChIKey of 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is OOAGWLSGUXDYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-7(2)5-6-9(12)11-10(8(3)4)13-14-15-11/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105126748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).