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

C11H21N3S — CID 63296474

IUPACN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H21N3S/c1-14(2)7-3-6-12-11-13-8-10(15-11)9-4-5-9/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKHEFNNZQOMPSDJ-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.41
Rot. Bonds5

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

N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 63296474) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID63296474
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H21N3S/c1-14(2)7-3-6-12-11-13-8-10(15-11)9-4-5-9/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKHEFNNZQOMPSDJ-UHFFFAOYSA-N
XLogP1.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.41
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'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 63296474) is N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1=NCC(C2CC2)S1.
What is the InChIKey of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KHEFNNZQOMPSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-14(2)7-3-6-12-11-13-8-10(15-11)9-4-5-9/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.41, 5 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'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 63296474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).