N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine

C8H15N3S — CID 65273225

IUPACN-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCNC(C)Cc1nc(C)ns1
InChIInChI=1S/C8H15N3S/c1-4-9-6(2)5-8-10-7(3)11-12-8/h6,9H,4-5H2,1-3H3
InChIKeyGAAMQXANTABMSB-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.39
Rot. Bonds4

About N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine

N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 65273225) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID65273225
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCNC(C)Cc1nc(C)ns1
InChIInChI=1S/C8H15N3S/c1-4-9-6(2)5-8-10-7(3)11-12-8/h6,9H,4-5H2,1-3H3
InChIKeyGAAMQXANTABMSB-UHFFFAOYSA-N
XLogP1.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (CID 65273225) is N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is CCNC(C)Cc1nc(C)ns1.
What is the InChIKey of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is GAAMQXANTABMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-9-6(2)5-8-10-7(3)11-12-8/h6,9H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 65273225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).