N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H28N2S — CID 106285314

IUPACN-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)C2CCCC2)S1
InChIInChI=1S/C15H28N2S/c1-4-12(5-2)14-10-16-15(18-14)17-11(3)13-8-6-7-9-13/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyFTNRLTULBKKLOH-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.06
Rot. Bonds5

About N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285314) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285314
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)C2CCCC2)S1
InChIInChI=1S/C15H28N2S/c1-4-12(5-2)14-10-16-15(18-14)17-11(3)13-8-6-7-9-13/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyFTNRLTULBKKLOH-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285314) is N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC(C)C2CCCC2)S1.
What is the InChIKey of N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FTNRLTULBKKLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-12(5-2)14-10-16-15(18-14)17-11(3)13-8-6-7-9-13/h11-14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).