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

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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).