N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine

C11H19ClN2S — CID 106354400

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC(CCCl)C(C)(C)C)n1
InChIInChI=1S/C11H19ClN2S/c1-8-7-15-10(13-8)14-9(5-6-12)11(2,3)4/h7,9H,5-6H2,1-4H3,(H,13,14)
InChIKeyIDRWJEUTUDQGGT-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.91
Rot. Bonds4

About N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine

N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 106354400) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID106354400
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC(CCCl)C(C)(C)C)n1
InChIInChI=1S/C11H19ClN2S/c1-8-7-15-10(13-8)14-9(5-6-12)11(2,3)4/h7,9H,5-6H2,1-4H3,(H,13,14)
InChIKeyIDRWJEUTUDQGGT-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 53.91
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

N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 83186786
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,2,4-benzotriazin-3-amine
CID 114177630
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
CID 106354467
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
CID 106354521
2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 43500206
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 82846018
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine (CID 106354400) is N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC(CCCl)C(C)(C)C)n1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is IDRWJEUTUDQGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-8-7-15-10(13-8)14-9(5-6-12)11(2,3)4/h7,9H,5-6H2,1-4H3,(H,13,14).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine?
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 246.81 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 106354400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).