5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine

C11H19ClN2S — CID 106141056

IUPAC5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine
SMILESCC(C)(CCCCl)CNCc1cncs1
InChIInChI=1S/C11H19ClN2S/c1-11(2,4-3-5-12)8-13-6-10-7-14-9-15-10/h7,9,13H,3-6,8H2,1-2H3
InChIKeyHXSSMWKAAWDYLL-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.28
Rot. Bonds7

About 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine

5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine (PubChem CID 106141056) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine
PubChem CID106141056
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine
SMILESCC(C)(CCCCl)CNCc1cncs1
InChIInChI=1S/C11H19ClN2S/c1-11(2,4-3-5-12)8-13-6-10-7-14-9-15-10/h7,9,13H,3-6,8H2,1-2H3
InChIKeyHXSSMWKAAWDYLL-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 53.28
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

2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
N-[(5-bromo-3-pyridinyl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106140672
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine
CID 106140684
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
5-(4-chlorobutyl)-1,3-thiazole
CID 112644725
N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
CID 106142341
N-(1-benzothiophen-3-ylmethyl)-5-chloro-2,2-dimethylpentan-1-amine
CID 114148978
4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 103897626
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine?
The IUPAC name of 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine (CID 106141056) is 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine is CC(C)(CCCCl)CNCc1cncs1.
What is the InChIKey of 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine?
The InChIKey is HXSSMWKAAWDYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-11(2,4-3-5-12)8-13-6-10-7-14-9-15-10/h7,9,13H,3-6,8H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine?
5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine has a molecular weight of 246.81 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine is sourced from PubChem (CID 106141056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).