N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C13H23N3S — CID 65273943

IUPACN-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(Nc2nc(C(C)C)ns2)C1C
InChIInChI=1S/C13H23N3S/c1-5-10-6-7-11(9(10)4)14-13-15-12(8(2)3)16-17-13/h8-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyUKZQYWHSYDGFTD-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.90
Rot. Bonds4

About N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65273943) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65273943
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(Nc2nc(C(C)C)ns2)C1C
InChIInChI=1S/C13H23N3S/c1-5-10-6-7-11(9(10)4)14-13-15-12(8(2)3)16-17-13/h8-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyUKZQYWHSYDGFTD-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65273943) is N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCC1CCC(Nc2nc(C(C)C)ns2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is UKZQYWHSYDGFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-10-6-7-11(9(10)4)14-13-15-12(8(2)3)16-17-13/h8-11H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 253.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).