N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine

C11H23N3S — CID 3781074

IUPACN',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1=NCC(C)S1
InChIInChI=1S/C11H23N3S/c1-4-14(5-2)8-6-7-12-11-13-9-10(3)15-11/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyQECAZVTWXORPSZ-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.80
Rot. Bonds6

About N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine

N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 3781074) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID3781074
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC NameN',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1=NCC(C)S1
InChIInChI=1S/C11H23N3S/c1-4-14(5-2)8-6-7-12-11-13-9-10(3)15-11/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyQECAZVTWXORPSZ-UHFFFAOYSA-N
XLogP1.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.80
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',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine (CID 3781074) is N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine is CCN(CC)CCCNC1=NCC(C)S1.
What is the InChIKey of N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is QECAZVTWXORPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-4-14(5-2)8-6-7-12-11-13-9-10(3)15-11/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine?
N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 229.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 3781074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).