1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine

C14H25N3S — CID 107185648

IUPAC1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCCC2C)s1
InChIInChI=1S/C14H25N3S/c1-4-9-15-12(5-2)14-17-16-13(18-14)11-8-6-7-10(11)3/h10-12,15H,4-9H2,1-3H3
InChIKeyRCDKXQHRYZGQOB-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.89
Rot. Bonds6

About 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine

1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 107185648) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID107185648
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCCC2C)s1
InChIInChI=1S/C14H25N3S/c1-4-9-15-12(5-2)14-17-16-13(18-14)11-8-6-7-10(11)3/h10-12,15H,4-9H2,1-3H3
InChIKeyRCDKXQHRYZGQOB-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185646
1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185641
2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107185489
1-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 107003570
1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 81129275
N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 80739697
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
CID 115939879
3-[5-[1-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-4-one
CID 136812869
1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 79762476
1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine (CID 107185648) is 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(C2CCCC2C)s1.
What is the InChIKey of 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is RCDKXQHRYZGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-9-15-12(5-2)14-17-16-13(18-14)11-8-6-7-10(11)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 107185648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).