N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine

C5H10N4S — CID 20557655

IUPACN'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine
SMILESNCCCNc1ncsn1
InChIInChI=1S/C5H10N4S/c6-2-1-3-7-5-8-4-10-9-5/h4H,1-3,6H2,(H,7,9)
InChIKeySPHHYDGFBKWEFF-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.30
Rot. Bonds4

About N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine

N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine (PubChem CID 20557655) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine
PubChem CID20557655
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC NameN'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine
SMILESNCCCNc1ncsn1
InChIInChI=1S/C5H10N4S/c6-2-1-3-7-5-8-4-10-9-5/h4H,1-3,6H2,(H,7,9)
InChIKeySPHHYDGFBKWEFF-UHFFFAOYSA-N
XLogP0.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromopyrimidin-2-yl)propane-1,3-diamine
CID 117224384
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
N'-[5-(5-bromothiophen-2-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 116974413
N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
CID 107844829
4-[2-(3-aminopropylamino)pyrimidin-5-yl]phenol
CID 117224175
N'-([1,3]thiazolo[5,4-b]pyridin-5-yl)propane-1,3-diamine
CID 83834252
N'-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,3-diamine
CID 83834255
N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
CID 83830250
N'-[4-(1-adamantyl)pyrimidin-2-yl]propane-1,3-diamine
CID 19621248
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N'-(2,1-benzothiazol-3-yl)propane-1,3-diamine
CID 66356346

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine (CID 20557655) is N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine is NCCCNc1ncsn1.
What is the InChIKey of N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine?
The InChIKey is SPHHYDGFBKWEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c6-2-1-3-7-5-8-4-10-9-5/h4H,1-3,6H2,(H,7,9).
What are the key properties of N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine?
N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine has a molecular weight of 158.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,4-thiadiazol-3-yl)propane-1,3-diamine is sourced from PubChem (CID 20557655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).