N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine

C13H25N3S — CID 63296289

IUPACN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H25N3S/c1-3-16(4-2)9-5-8-14-13-15-10-12(17-13)11-6-7-11/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyVCHYKGIQAMYCGC-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds7

About N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine

N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 63296289) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID63296289
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H25N3S/c1-3-16(4-2)9-5-8-14-13-15-10-12(17-13)11-6-7-11/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyVCHYKGIQAMYCGC-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
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-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine (CID 63296289) is N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNC1=NCC(C2CC2)S1.
What is the InChIKey of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is VCHYKGIQAMYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-3-16(4-2)9-5-8-14-13-15-10-12(17-13)11-6-7-11/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 63296289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).