3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine

C8H15N3S — CID 65269095

IUPAC3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C(C)C)ns1
InChIInChI=1S/C8H15N3S/c1-4-5-9-8-10-7(6(2)3)11-12-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyZDLIOMWDNHLPIG-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.48
Rot. Bonds4

About 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine

3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65269095) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65269095
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C(C)C)ns1
InChIInChI=1S/C8H15N3S/c1-4-5-9-8-10-7(6(2)3)11-12-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyZDLIOMWDNHLPIG-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273820
1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65275792
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 113247405
N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274259
4-methyl-6-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 65270163
3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274344
N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103525237
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine (CID 65269095) is 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C(C)C)ns1.
What is the InChIKey of 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZDLIOMWDNHLPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-5-9-8-10-7(6(2)3)11-12-8/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 185.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).