N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane

C19H36N6S — CID 162383038

IUPACN-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane
SMILESC=C(CC)N1CCN(Cc2csc(NCC3CCCN3N)n2)CC1.CC
InChIInChI=1S/C17H30N6S.C2H6/c1-3-14(2)22-9-7-21(8-10-22)12-15-13-24-17(20-15)19-11-16-5-4-6-23(16)18;1-2/h13,16H,2-12,18H2,1H3,(H,19,20);1-2H3
InChIKeyUETOGLFOJVISTM-UHFFFAOYSA-N
MW380.61 g/mol
LogP2.96
Rot. Bonds7

About N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane

N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane (PubChem CID 162383038) has the molecular formula C19H36N6S and a molecular weight of 380.61 g/mol. Its IUPAC name is N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound NameN-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane
PubChem CID162383038
Molecular FormulaC19H36N6S
Molecular Weight380.61 g/mol
Exact Mass380.27
IUPAC NameN-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane
SMILESC=C(CC)N1CCN(Cc2csc(NCC3CCCN3N)n2)CC1.CC
InChIInChI=1S/C17H30N6S.C2H6/c1-3-14(2)22-9-7-21(8-10-22)12-15-13-24-17(20-15)19-11-16-5-4-6-23(16)18;1-2/h13,16H,2-12,18H2,1H3,(H,19,20);1-2H3
InChIKeyUETOGLFOJVISTM-UHFFFAOYSA-N
XLogP2.96
TPSA60.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane?
The IUPAC name of N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane (CID 162383038) is N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane?
The canonical SMILES for N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane is C=C(CC)N1CCN(Cc2csc(NCC3CCCN3N)n2)CC1.CC.
What is the InChIKey of N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane?
The InChIKey is UETOGLFOJVISTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6S.C2H6/c1-3-14(2)22-9-7-21(8-10-22)12-15-13-24-17(20-15)19-11-16-5-4-6-23(16)18;1-2/h13,16H,2-12,18H2,1H3,(H,19,20);1-2H3.
What are the key properties of N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane?
N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane has a molecular weight of 380.61 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 162383038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).