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

C17H24N2S — CID 106285093

IUPAC5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CC2c2ccccc2)S1
InChIInChI=1S/C17H24N2S/c1-3-12(4-2)16-11-18-17(20-16)19-15-10-14(15)13-8-6-5-7-9-13/h5-9,12,14-16H,3-4,10-11H2,1-2H3,(H,18,19)
InChIKeyGGEYNPIDEHBLSB-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.04
Rot. Bonds5

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

5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285093) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285093
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CC2c2ccccc2)S1
InChIInChI=1S/C17H24N2S/c1-3-12(4-2)16-11-18-17(20-16)19-15-10-14(15)13-8-6-5-7-9-13/h5-9,12,14-16H,3-4,10-11H2,1-2H3,(H,18,19)
InChIKeyGGEYNPIDEHBLSB-UHFFFAOYSA-N
XLogP4.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106285093) is 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC2CC2c2ccccc2)S1.
What is the InChIKey of 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GGEYNPIDEHBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-12(4-2)16-11-18-17(20-16)19-15-10-14(15)13-8-6-5-7-9-13/h5-9,12,14-16H,3-4,10-11H2,1-2H3,(H,18,19).
What are the key properties of 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).