N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

C11H21N3S — CID 60982755

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1ncc(CNCCCN(C)C)s1
InChIInChI=1S/C11H21N3S/c1-4-11-13-9-10(15-11)8-12-6-5-7-14(2)3/h9,12H,4-8H2,1-3H3
InChIKeyYVPGCJATNMDKHE-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.75
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 60982755) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID60982755
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1ncc(CNCCCN(C)C)s1
InChIInChI=1S/C11H21N3S/c1-4-11-13-9-10(15-11)8-12-6-5-7-14(2)3/h9,12H,4-8H2,1-3H3
InChIKeyYVPGCJATNMDKHE-UHFFFAOYSA-N
XLogP1.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.75
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

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424873
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
CID 107267939
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 54883757
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 61004647
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 60982755) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is CCc1ncc(CNCCCN(C)C)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is YVPGCJATNMDKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-11-13-9-10(15-11)8-12-6-5-7-14(2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 60982755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).