N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine

C7H13N3S — CID 105078883

IUPACN-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
SMILESCCNC(CC)c1cnsn1
InChIInChI=1S/C7H13N3S/c1-3-6(8-4-2)7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyAJXXRMHWVYKTNJ-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.60
Rot. Bonds4

About N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine

N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine (PubChem CID 105078883) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
PubChem CID105078883
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
SMILESCCNC(CC)c1cnsn1
InChIInChI=1S/C7H13N3S/c1-3-6(8-4-2)7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyAJXXRMHWVYKTNJ-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105167206
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103053015
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105110441
N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105082987
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
CID 105149148
3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
CID 105102816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine (CID 105078883) is N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine is CCNC(CC)c1cnsn1.
What is the InChIKey of N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine?
The InChIKey is AJXXRMHWVYKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-6(8-4-2)7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine?
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 105078883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).