N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine

C6H11N3S — CID 82415855

IUPACN-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine
SMILESCCCNCc1ncns1
InChIInChI=1S/C6H11N3S/c1-2-3-7-4-6-8-5-9-10-6/h5,7H,2-4H2,1H3
InChIKeyKQDQXJJMLSOWAV-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.04
Rot. Bonds4

About N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine

N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine (PubChem CID 82415855) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine
PubChem CID82415855
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine
SMILESCCCNCc1ncns1
InChIInChI=1S/C6H11N3S/c1-2-3-7-4-6-8-5-9-10-6/h5,7H,2-4H2,1H3
InChIKeyKQDQXJJMLSOWAV-UHFFFAOYSA-N
XLogP1.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,4-thiadiazol-5-ylmethyl)formamide
CID 87322312
N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280543
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80624767
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N,3,3-trimethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280664
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-[[5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 112755681
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-[(3-pyridin-4-yl-1,2-thiazol-5-yl)methyl]propan-1-amine
CID 80524528
N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65140276
N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 114553106

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine (CID 82415855) is N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine is CCCNCc1ncns1.
What is the InChIKey of N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine?
The InChIKey is KQDQXJJMLSOWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-3-7-4-6-8-5-9-10-6/h5,7H,2-4H2,1H3.
What are the key properties of N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine?
N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine has a molecular weight of 157.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-thiadiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 82415855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).