N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine

C14H24N2S2 — CID 116504483

IUPACN-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine
SMILESCCSCCC(NC1CC1)c1nc(CC)c(C)s1
InChIInChI=1S/C14H24N2S2/c1-4-12-10(3)18-14(16-12)13(8-9-17-5-2)15-11-6-7-11/h11,13,15H,4-9H2,1-3H3
InChIKeyCHRFCLRGBZXGFX-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.95
Rot. Bonds8

About N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine

N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine (PubChem CID 116504483) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine
PubChem CID116504483
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC NameN-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine
SMILESCCSCCC(NC1CC1)c1nc(CC)c(C)s1
InChIInChI=1S/C14H24N2S2/c1-4-12-10(3)18-14(16-12)13(8-9-17-5-2)15-11-6-7-11/h11,13,15H,4-9H2,1-3H3
InChIKeyCHRFCLRGBZXGFX-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine?
The IUPAC name of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine (CID 116504483) is N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine is CCSCCC(NC1CC1)c1nc(CC)c(C)s1.
What is the InChIKey of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine?
The InChIKey is CHRFCLRGBZXGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-4-12-10(3)18-14(16-12)13(8-9-17-5-2)15-11-6-7-11/h11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine?
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine has a molecular weight of 284.49 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine is sourced from PubChem (CID 116504483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).