1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine

C13H24N2S — CID 82432458

IUPAC1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(C(CC)CC)sc1C(C)N
InChIInChI=1S/C13H24N2S/c1-5-8-11-12(9(4)14)16-13(15-11)10(6-2)7-3/h9-10H,5-8,14H2,1-4H3
InChIKeyFPKSVXGWBJNIFO-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.02
Rot. Bonds6

About 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine

1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82432458) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
PubChem CID82432458
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(C(CC)CC)sc1C(C)N
InChIInChI=1S/C13H24N2S/c1-5-8-11-12(9(4)14)16-13(15-11)10(6-2)7-3/h9-10H,5-8,14H2,1-4H3
InChIKeyFPKSVXGWBJNIFO-UHFFFAOYSA-N
XLogP4.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine (CID 82432458) is 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine is CCCc1nc(C(CC)CC)sc1C(C)N.
What is the InChIKey of 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FPKSVXGWBJNIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-8-11-12(9(4)14)16-13(15-11)10(6-2)7-3/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine?
1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 240.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).