5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine

C12H23N3S — CID 105177007

IUPAC5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine
SMILESCCCNC(CCCC(C)C)c1csnn1
InChIInChI=1S/C12H23N3S/c1-4-8-13-11(7-5-6-10(2)3)12-9-16-15-14-12/h9-11,13H,4-8H2,1-3H3
InChIKeyADEVMRFEKGYLJH-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.41
Rot. Bonds8

About 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine

5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine (PubChem CID 105177007) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine
PubChem CID105177007
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine
SMILESCCCNC(CCCC(C)C)c1csnn1
InChIInChI=1S/C12H23N3S/c1-4-8-13-11(7-5-6-10(2)3)12-9-16-15-14-12/h9-11,13H,4-8H2,1-3H3
InChIKeyADEVMRFEKGYLJH-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
N-ethyl-1-(thiadiazol-4-yl)heptan-1-amine
CID 105126169
5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105151873
1-(thiadiazol-4-yl)octylhydrazine
CID 105293500
5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine
CID 114031706
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
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-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine?
The IUPAC name of 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine (CID 105177007) is 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine is CCCNC(CCCC(C)C)c1csnn1.
What is the InChIKey of 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine?
The InChIKey is ADEVMRFEKGYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-8-13-11(7-5-6-10(2)3)12-9-16-15-14-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine?
5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine is sourced from PubChem (CID 105177007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).