N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine

C11H20N2S — CID 64539296

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1sc(C)nc1C
InChIInChI=1S/C11H20N2S/c1-4-5-6-7-12-8-11-9(2)13-10(3)14-11/h12H,4-8H2,1-3H3
InChIKeyTYWIGRFTGQLXPR-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.04
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine (PubChem CID 64539296) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
PubChem CID64539296
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1sc(C)nc1C
InChIInChI=1S/C11H20N2S/c1-4-5-6-7-12-8-11-9(2)13-10(3)14-11/h12H,4-8H2,1-3H3
InChIKeyTYWIGRFTGQLXPR-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539322
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694220
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 64540795
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-pentylguanidine
CID 111772096
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
CID 64541630
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111772639
N-[[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82426303
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 64539510
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 64539929
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115567823
1-butyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylguanidine
CID 111772592
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide
CID 110678864

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine (CID 64539296) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine is CCCCCNCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The InChIKey is TYWIGRFTGQLXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-5-6-7-12-8-11-9(2)13-10(3)14-11/h12H,4-8H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 64539296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).