N-propyl-1-(thiadiazol-4-yl)propan-1-amine

C8H15N3S — CID 105078585

IUPACN-propyl-1-(thiadiazol-4-yl)propan-1-amine
SMILESCCCNC(CC)c1csnn1
InChIInChI=1S/C8H15N3S/c1-3-5-9-7(4-2)8-6-12-11-10-8/h6-7,9H,3-5H2,1-2H3
InChIKeyVZAHBNBSVKCYFT-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.99
Rot. Bonds5

About N-propyl-1-(thiadiazol-4-yl)propan-1-amine

N-propyl-1-(thiadiazol-4-yl)propan-1-amine (PubChem CID 105078585) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-propyl-1-(thiadiazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(thiadiazol-4-yl)propan-1-amine
PubChem CID105078585
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-propyl-1-(thiadiazol-4-yl)propan-1-amine
SMILESCCCNC(CC)c1csnn1
InChIInChI=1S/C8H15N3S/c1-3-5-9-7(4-2)8-6-12-11-10-8/h6-7,9H,3-5H2,1-2H3
InChIKeyVZAHBNBSVKCYFT-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine
CID 105177007
N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105151873
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380
N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105162736
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105087955
N-ethyl-1-(thiadiazol-4-yl)heptan-1-amine
CID 105126169
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117
N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105141634
N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 65216299
N-[thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105142581

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiadiazol-4-yl)propan-1-amine?
The IUPAC name of N-propyl-1-(thiadiazol-4-yl)propan-1-amine (CID 105078585) is N-propyl-1-(thiadiazol-4-yl)propan-1-amine.
What is the SMILES notation for N-propyl-1-(thiadiazol-4-yl)propan-1-amine?
The canonical SMILES for N-propyl-1-(thiadiazol-4-yl)propan-1-amine is CCCNC(CC)c1csnn1.
What is the InChIKey of N-propyl-1-(thiadiazol-4-yl)propan-1-amine?
The InChIKey is VZAHBNBSVKCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-5-9-7(4-2)8-6-12-11-10-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-propyl-1-(thiadiazol-4-yl)propan-1-amine?
N-propyl-1-(thiadiazol-4-yl)propan-1-amine has a molecular weight of 185.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiadiazol-4-yl)propan-1-amine is sourced from PubChem (CID 105078585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).