N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine

C10H19N3S — CID 65280668

IUPACN-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCCc1nsc(C(C)C(C)NC)n1
InChIInChI=1S/C10H19N3S/c1-5-6-9-12-10(14-13-9)7(2)8(3)11-4/h7-8,11H,5-6H2,1-4H3
InChIKeyYIPQPPKYCPDZCE-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine

N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65280668) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65280668
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCCc1nsc(C(C)C(C)NC)n1
InChIInChI=1S/C10H19N3S/c1-5-6-9-12-10(14-13-9)7(2)8(3)11-4/h7-8,11H,5-6H2,1-4H3
InChIKeyYIPQPPKYCPDZCE-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65280668) is N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine is CCCc1nsc(C(C)C(C)NC)n1.
What is the InChIKey of N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is YIPQPPKYCPDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-6-9-12-10(14-13-9)7(2)8(3)11-4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65280668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).