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

C15H30N2S — CID 106285842

IUPAC5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC(C)(C)C(C)C)S1
InChIInChI=1S/C15H30N2S/c1-7-12(8-2)13-9-16-14(18-13)17-10-15(5,6)11(3)4/h11-13H,7-10H2,1-6H3,(H,16,17)
InChIKeyMBDYFIDZEJUARW-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.17
Rot. Bonds6

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

5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285842) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285842
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC(C)(C)C(C)C)S1
InChIInChI=1S/C15H30N2S/c1-7-12(8-2)13-9-16-14(18-13)17-10-15(5,6)11(3)4/h11-13H,7-10H2,1-6H3,(H,16,17)
InChIKeyMBDYFIDZEJUARW-UHFFFAOYSA-N
XLogP4.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.17
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-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106285842) is 5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCC(C)(C)C(C)C)S1.
What is the InChIKey of 5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MBDYFIDZEJUARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-7-12(8-2)13-9-16-14(18-13)17-10-15(5,6)11(3)4/h11-13H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.49 g/mol, XLogP of 4.17, 6 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-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).