1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine

C10H19N3S — CID 65280231

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCC(N)Cc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-4-5-8(11)6-9-12-10(7(2)3)13-14-9/h7-8H,4-6,11H2,1-3H3
InChIKeyQNDCYVUCECVTMU-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.33
Rot. Bonds5

About 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine (PubChem CID 65280231) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
PubChem CID65280231
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCC(N)Cc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3S/c1-4-5-8(11)6-9-12-10(7(2)3)13-14-9/h7-8H,4-6,11H2,1-3H3
InChIKeyQNDCYVUCECVTMU-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine (CID 65280231) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine is CCCC(N)Cc1nc(C(C)C)ns1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The InChIKey is QNDCYVUCECVTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-5-8(11)6-9-12-10(7(2)3)13-14-9/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 65280231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).