N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine

C13H25N3S — CID 114754233

IUPACN-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
SMILESCCCCCCc1nnc(CCNC(C)C)s1
InChIInChI=1S/C13H25N3S/c1-4-5-6-7-8-12-15-16-13(17-12)9-10-14-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyPAEWKESMKVGDBB-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.20
Rot. Bonds9

About N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine

N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine (PubChem CID 114754233) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
PubChem CID114754233
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
SMILESCCCCCCc1nnc(CCNC(C)C)s1
InChIInChI=1S/C13H25N3S/c1-4-5-6-7-8-12-15-16-13(17-12)9-10-14-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyPAEWKESMKVGDBB-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.20
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-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 114877382
N-[2-[5-(3,3-dimethylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 114212947
2-heptyl-5-methyl-1,3,4-thiadiazole
CID 139417384
2-bromo-5-nonyl-1,3,4-thiadiazole
CID 65426621
3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114754218
5-nonyl-1,3,4-thiadiazol-2-amine
CID 3866264
3-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 103167275
N-propan-2-ylicosan-1-amine
CID 87246132
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine (CID 114754233) is N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine is CCCCCCc1nnc(CCNC(C)C)s1.
What is the InChIKey of N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is PAEWKESMKVGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-4-5-6-7-8-12-15-16-13(17-12)9-10-14-11(2)3/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114754233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).