N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

C11H21N3S — CID 82424873

IUPACN-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCN(C)C)s1
InChIInChI=1S/C11H21N3S/c1-4-6-12-8-10-9-13-11(15-10)5-7-14(2)3/h9,12H,4-8H2,1-3H3
InChIKeyHBBIHLRZPXOTSS-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.75
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82424873) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82424873
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCN(C)C)s1
InChIInChI=1S/C11H21N3S/c1-4-6-12-8-10-9-13-11(15-10)5-7-14(2)3/h9,12H,4-8H2,1-3H3
InChIKeyHBBIHLRZPXOTSS-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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
CID 61282306
N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423466
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423840
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101
N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65140276
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82424873) is N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(CCN(C)C)s1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is HBBIHLRZPXOTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-6-12-8-10-9-13-11(15-10)5-7-14(2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine 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-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82424873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).