3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C12H21N3S — CID 107185473

IUPAC3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCC1(C)CCCC1c1nnc(CCCN)s1
InChIInChI=1S/C12H21N3S/c1-12(2)7-3-5-9(12)11-15-14-10(16-11)6-4-8-13/h9H,3-8,13H2,1-2H3
InChIKeyPJVQRANBUUOYCW-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.72
Rot. Bonds4

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

3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 107185473) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID107185473
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCC1(C)CCCC1c1nnc(CCCN)s1
InChIInChI=1S/C12H21N3S/c1-12(2)7-3-5-9(12)11-15-14-10(16-11)6-4-8-13/h9H,3-8,13H2,1-2H3
InChIKeyPJVQRANBUUOYCW-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 65718421
2-[5-(Cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65725606
3-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 65725643
2-[5-(2,3,3-Trimethylbutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65725806
[5-(4-Tert-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725954
[5-(Cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725956
1-[5-(2-Cyclopentylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726025
1-[5-(2,3,3-Trimethylbutyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726033
3-[5-(2-Cyclopentylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726378
3-[5-(2,3,3-Trimethylbutyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726385
1-(5-Cyclopentyl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 65726446
1-[5-(4-Tert-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726461

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 107185473) is 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CC1(C)CCCC1c1nnc(CCCN)s1.
What is the InChIKey of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is PJVQRANBUUOYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2)7-3-5-9(12)11-15-14-10(16-11)6-4-8-13/h9H,3-8,13H2,1-2H3.
What are the key properties of 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 107185473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).