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

C13H24N2S — CID 82434753

IUPAC1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCC(CC)c1nc(C(C)C)c(C(C)N)s1
InChIInChI=1S/C13H24N2S/c1-6-10(7-2)13-15-11(8(3)4)12(16-13)9(5)14/h8-10H,6-7,14H2,1-5H3
InChIKeyYNXUVVYJJAGASS-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.19
Rot. Bonds5

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

1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82434753) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID82434753
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCC(CC)c1nc(C(C)C)c(C(C)N)s1
InChIInChI=1S/C13H24N2S/c1-6-10(7-2)13-15-11(8(3)4)12(16-13)9(5)14/h8-10H,6-7,14H2,1-5H3
InChIKeyYNXUVVYJJAGASS-UHFFFAOYSA-N
XLogP4.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
CID 82432458
5-heptan-3-yl-2,4-di(propan-2-yl)-1,3-thiazole
CID 177141160
2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82434742
5-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82434754
(E)-3-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 82434751
N-[(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82434732
1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435252
1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435434
1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434313
1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435350
1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
CID 130090847
1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434130

Frequently Asked Questions

What is the IUPAC name of 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine (CID 82434753) is 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine is CCC(CC)c1nc(C(C)C)c(C(C)N)s1.
What is the InChIKey of 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is YNXUVVYJJAGASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-10(7-2)13-15-11(8(3)4)12(16-13)9(5)14/h8-10H,6-7,14H2,1-5H3.
What are the key properties of 1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 240.42 g/mol, XLogP of 4.19, 5 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-propan-2-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).