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

C11H19ClN2S — CID 107156018

IUPAC2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine
SMILESCc1nc(CNCC(Cl)CC(C)C)cs1
InChIInChI=1S/C11H19ClN2S/c1-8(2)4-10(12)5-13-6-11-7-15-9(3)14-11/h7-8,10,13H,4-6H2,1-3H3
InChIKeyAPYKHUKQQLUGAB-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.19
Rot. Bonds6

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

2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine (PubChem CID 107156018) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine
PubChem CID107156018
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine
SMILESCc1nc(CNCC(Cl)CC(C)C)cs1
InChIInChI=1S/C11H19ClN2S/c1-8(2)4-10(12)5-13-6-11-7-15-9(3)14-11/h7-8,10,13H,4-6H2,1-3H3
InChIKeyAPYKHUKQQLUGAB-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107155892
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62797615
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
CID 43210216
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
N-methyl-4-[(2-methylpropylamino)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 63071113
1-chloro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 79245829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine (CID 107156018) is 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine is Cc1nc(CNCC(Cl)CC(C)C)cs1.
What is the InChIKey of 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine?
The InChIKey is APYKHUKQQLUGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-8(2)4-10(12)5-13-6-11-7-15-9(3)14-11/h7-8,10,13H,4-6H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine?
2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine has a molecular weight of 246.81 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107156018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).