N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C8H15N3S — CID 105082276

IUPACN-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCNC(C)c1snnc1C(C)C
InChIInChI=1S/C8H15N3S/c1-5(2)7-8(6(3)9-4)12-11-10-7/h5-6,9H,1-4H3
InChIKeyQAXNYHUZPBLZTA-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105082276) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105082276
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCNC(C)c1snnc1C(C)C
InChIInChI=1S/C8H15N3S/c1-5(2)7-8(6(3)9-4)12-11-10-7/h5-6,9H,1-4H3
InChIKeyQAXNYHUZPBLZTA-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine
CID 105094228
2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105412547
1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105173067
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 102653432
1-(4-propan-2-ylthiadiazol-5-yl)prop-2-yn-1-amine
CID 105158202
4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105126748
[3-methyl-1-(4-propan-2-ylthiadiazol-5-yl)but-3-enyl]hydrazine
CID 105319688
N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105189051
2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105168462
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105179103

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105082276) is N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CNC(C)c1snnc1C(C)C.
What is the InChIKey of N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is QAXNYHUZPBLZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(2)7-8(6(3)9-4)12-11-10-7/h5-6,9H,1-4H3.
What are the key properties of N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105082276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).