N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

C11H21N3S — CID 115732705

IUPACN'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CC)CCNCc1cncs1
InChIInChI=1S/C11H21N3S/c1-3-6-14(4-2)7-5-12-8-11-9-13-10-15-11/h9-10,12H,3-8H2,1-2H3
InChIKeyMDWPPKFJPJOMCN-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.96
Rot. Bonds8

About N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 115732705) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID115732705
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CC)CCNCc1cncs1
InChIInChI=1S/C11H21N3S/c1-3-6-14(4-2)7-5-12-8-11-9-13-10-15-11/h9-10,12H,3-8H2,1-2H3
InChIKeyMDWPPKFJPJOMCN-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.96
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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Related Compounds

N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
N'-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylethane-1,2-diamine
CID 115671365
N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
N-[(5-bromo-3-pyridinyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 104856993
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133525
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103851922
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (CID 115732705) is N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is CCCN(CC)CCNCc1cncs1.
What is the InChIKey of N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is MDWPPKFJPJOMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-6-14(4-2)7-5-12-8-11-9-13-10-15-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115732705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).